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Organic sulfonic acids and derivatives

Organic compounds that consist of sulfonic acid with organic functional group substitutions; includes compounds that are derived from organic sulfonic acids.

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1

1-Hexanesulfonic acid, sodium salt, 99+%, Ion pair chromatography, anhydrous

CAS: 2832-45-3 Molecular Formula: C6H13NaO3S Molecular Weight (g/mol): 188.22 MDL Number: MFCD00007542 InChI Key: QWSZRRAAFHGKCH-UHFFFAOYSA-M Synonym: sodium 1-hexanesulfonate,sodium hexane-1-sulfonate,sodium hexanesulfonate,1-hexanesulfonic acid sodium salt,1-hexanesulfonic acid, sodium salt,1-hexanesulfonic acid, sodium salt 1:1,1-hexane sulfonic acid sodium salt,hexyl sodium sulfonate,1-hexanesulfonate, sodium,hexanesulfonic acid na-salt PubChem CID: 23677630 IUPAC Name: sodium;hexane-1-sulfonate SMILES: [Na+].CCCCCCS([O-])(=O)=O

EDGE
PubChem CID 23677630
CAS 2832-45-3
Molecular Weight (g/mol) 188.22
MDL Number MFCD00007542
SMILES [Na+].CCCCCCS([O-])(=O)=O
Synonym sodium 1-hexanesulfonate,sodium hexane-1-sulfonate,sodium hexanesulfonate,1-hexanesulfonic acid sodium salt,1-hexanesulfonic acid, sodium salt,1-hexanesulfonic acid, sodium salt 1:1,1-hexane sulfonic acid sodium salt,hexyl sodium sulfonate,1-hexanesulfonate, sodium,hexanesulfonic acid na-salt
IUPAC Name sodium;hexane-1-sulfonate
InChI Key QWSZRRAAFHGKCH-UHFFFAOYSA-M
Molecular Formula C6H13NaO3S
2

Methanesulfonamide, 98%

CAS: 3144-09-0 Molecular Formula: CH5NO2S Molecular Weight (g/mol): 95.12 MDL Number: MFCD00007940 InChI Key: HNQIVZYLYMDVSB-UHFFFAOYSA-N Synonym: methylsulfonamide,methane sulfonamide,methanesulphonamide,methansulfonamid,methyl sulfonamide,aminosulfane dioxide,methyl sulfonylamine,ch3so2nh2,mesylamine,methansulfonamide PubChem CID: 72879 IUPAC Name: methanesulfonamide SMILES: CS(N)(=O)=O

PubChem CID 72879
CAS 3144-09-0
Molecular Weight (g/mol) 95.12
MDL Number MFCD00007940
SMILES CS(N)(=O)=O
Synonym methylsulfonamide,methane sulfonamide,methanesulphonamide,methansulfonamid,methyl sulfonamide,aminosulfane dioxide,methyl sulfonylamine,ch3so2nh2,mesylamine,methansulfonamide
IUPAC Name methanesulfonamide
InChI Key HNQIVZYLYMDVSB-UHFFFAOYSA-N
Molecular Formula CH5NO2S
3

1-Octanesulfonic acid, sodium salt, 99+%, Ion pair chromatography, anhydrous

CAS: 5324-84-5 Molecular Formula: C8H17NaO3S Molecular Weight (g/mol): 216.27 MDL Number: MFCD00007544 InChI Key: HRQDCDQDOPSGBR-UHFFFAOYSA-M Synonym: sodium 1-octanesulfonate,sodium octane-1-sulfonate,1-octanesulfonic acid sodium salt,sodium octanesulfonate,1-octanesulfonic acid, sodium salt,1-octanesulfonate, sodium,sodium octylsulfonate,unii-j46ez5jyb3,octyl sodium sulfonate,ipc-alks-8 PubChem CID: 23669624 IUPAC Name: sodium;octane-1-sulfonate SMILES: [Na+].CCCCCCCCS([O-])(=O)=O

PubChem CID 23669624
CAS 5324-84-5
Molecular Weight (g/mol) 216.27
MDL Number MFCD00007544
SMILES [Na+].CCCCCCCCS([O-])(=O)=O
Synonym sodium 1-octanesulfonate,sodium octane-1-sulfonate,1-octanesulfonic acid sodium salt,sodium octanesulfonate,1-octanesulfonic acid, sodium salt,1-octanesulfonate, sodium,sodium octylsulfonate,unii-j46ez5jyb3,octyl sodium sulfonate,ipc-alks-8
IUPAC Name sodium;octane-1-sulfonate
InChI Key HRQDCDQDOPSGBR-UHFFFAOYSA-M
Molecular Formula C8H17NaO3S
4

(S)-(+)-Glycidyl nosylate, 98%

CAS: 115314-14-2 Molecular Formula: C9H9NO6S Molecular Weight (g/mol): 259.23 MDL Number: MFCD00064582 InChI Key: AIHIHVZYAAMDPM-QMMMGPOBSA-N Synonym: s-+-glycidyl nosylate,s-glycidyl nosylate,s-glycidyl 3-nitrobenzenesulfonate,s-oxiran-2-ylmethyl 3-nitrobenzenesulfonate,s-+-glycidyl 3-nitrobenzenesulfonate,glycidyl 3-nitrobenzenesulfonate,ccris 6394,2s-+-glycidyl-3-nitrobenzenesulfonate,oxiranylmethyl s-3-nitrobenzenesulfonate,2s-oxiran-2-yl methyl 3-nitrobenzenesulfonate PubChem CID: 146490 IUPAC Name: [(2S)-oxiran-2-yl]methyl 3-nitrobenzenesulfonate SMILES: [O-][N+](=O)C1=CC=CC(=C1)S(=O)(=O)OC[C@@H]1CO1

PubChem CID 146490
CAS 115314-14-2
Molecular Weight (g/mol) 259.23
MDL Number MFCD00064582
SMILES [O-][N+](=O)C1=CC=CC(=C1)S(=O)(=O)OC[C@@H]1CO1
Synonym s-+-glycidyl nosylate,s-glycidyl nosylate,s-glycidyl 3-nitrobenzenesulfonate,s-oxiran-2-ylmethyl 3-nitrobenzenesulfonate,s-+-glycidyl 3-nitrobenzenesulfonate,glycidyl 3-nitrobenzenesulfonate,ccris 6394,2s-+-glycidyl-3-nitrobenzenesulfonate,oxiranylmethyl s-3-nitrobenzenesulfonate,2s-oxiran-2-yl methyl 3-nitrobenzenesulfonate
IUPAC Name [(2S)-oxiran-2-yl]methyl 3-nitrobenzenesulfonate
InChI Key AIHIHVZYAAMDPM-QMMMGPOBSA-N
Molecular Formula C9H9NO6S
5

Perfluorooctanesulfonamide, 95%

CAS: 754-91-6 Molecular Formula: C8H2F17NO2S Molecular Weight (g/mol): 499.15 InChI Key: RRRXPPIDPYTNJG-UHFFFAOYSA-N Synonym: perfluorooctanesulfonamide,perfluoroctylsulfonamide,perfluorooctane sulfonamide,pfosa,heptadecafluorooctanesulphonamide,perfluorooctanesulfonic acid amide,unii-80am718fml,1-octanesulfonamide, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro,deethylsulfluramie,perfluorooctanesulphonamide PubChem CID: 69785 IUPAC Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide SMILES: C(C(C(C(C(F)(F)S(=O)(=O)N)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F

PubChem CID 69785
CAS 754-91-6
Molecular Weight (g/mol) 499.15
SMILES C(C(C(C(C(F)(F)S(=O)(=O)N)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F
Synonym perfluorooctanesulfonamide,perfluoroctylsulfonamide,perfluorooctane sulfonamide,pfosa,heptadecafluorooctanesulphonamide,perfluorooctanesulfonic acid amide,unii-80am718fml,1-octanesulfonamide, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro,deethylsulfluramie,perfluorooctanesulphonamide
IUPAC Name 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide
InChI Key RRRXPPIDPYTNJG-UHFFFAOYSA-N
Molecular Formula C8H2F17NO2S
6

1-Heptanesulfonic acid, sodium salt, 99+%, Ion pair chromatography, anhydrous

CAS: 22767-50-6 Molecular Formula: C7H15NaO3S Molecular Weight (g/mol): 202.25 MDL Number: MFCD00007543 InChI Key: REFMEZARFCPESH-UHFFFAOYSA-M Synonym: sodium 1-heptanesulfonate,sodium heptane-1-sulfonate,1-heptanesulfonic acid sodium salt,1-heptanesulfonic acid, sodium salt,sodium heptane-1-sulphonate,1-heptanesulfonic acid, sodium salt 1:1,1-heptanesulfonic acid sodium,sodium heptanesulfonate,1-heptylsodiumsulfonate,sodium heptane sulfonate PubChem CID: 23672332 IUPAC Name: sodium;heptane-1-sulfonate SMILES: CCCCCCCS(=O)(=O)[O-].[Na+]

PubChem CID 23672332
CAS 22767-50-6
Molecular Weight (g/mol) 202.25
MDL Number MFCD00007543
SMILES CCCCCCCS(=O)(=O)[O-].[Na+]
Synonym sodium 1-heptanesulfonate,sodium heptane-1-sulfonate,1-heptanesulfonic acid sodium salt,1-heptanesulfonic acid, sodium salt,sodium heptane-1-sulphonate,1-heptanesulfonic acid, sodium salt 1:1,1-heptanesulfonic acid sodium,sodium heptanesulfonate,1-heptylsodiumsulfonate,sodium heptane sulfonate
IUPAC Name sodium;heptane-1-sulfonate
InChI Key REFMEZARFCPESH-UHFFFAOYSA-M
Molecular Formula C7H15NaO3S
7

1,3-Propane sultone, 97%

CAS: 1120-71-4 Molecular Formula: C3H6O3S Molecular Weight (g/mol): 122.14 MDL Number: MFCD00005355 InChI Key: FSSPGSAQUIYDCN-UHFFFAOYSA-N Synonym: 1,3-propanesultone,propane sultone,1,2-oxathiolane 2,2-dioxide,1,3-propane sultone,1,2-oxathiolane, 2,2-dioxide,propanesultone,rcra waste number u193,.gamma.-propane sultone,3-hydroxy-1-propanesulfonic acid gamma-sultone,unii-l6ntk7vjx9 PubChem CID: 14264 ChEBI: CHEBI:82370 IUPAC Name: oxathiolane 2,2-dioxide SMILES: O=S1(=O)CCCO1

PubChem CID 14264
CAS 1120-71-4
Molecular Weight (g/mol) 122.14
ChEBI CHEBI:82370
MDL Number MFCD00005355
SMILES O=S1(=O)CCCO1
Synonym 1,3-propanesultone,propane sultone,1,2-oxathiolane 2,2-dioxide,1,3-propane sultone,1,2-oxathiolane, 2,2-dioxide,propanesultone,rcra waste number u193,.gamma.-propane sultone,3-hydroxy-1-propanesulfonic acid gamma-sultone,unii-l6ntk7vjx9
IUPAC Name oxathiolane 2,2-dioxide
InChI Key FSSPGSAQUIYDCN-UHFFFAOYSA-N
Molecular Formula C3H6O3S
8

1,4-Butane sultone, 99+%

CAS: 1633-83-6 Molecular Formula: C4H8O3S Molecular Weight (g/mol): 136.17 MDL Number: MFCD00006584 InChI Key: MHYFEEDKONKGEB-UHFFFAOYSA-N Synonym: 1,4-butane sultone,1,4-butanesultone,butane sultone,butanesultone,1,2-oxathiane, 2,2-dioxide,butanesulfone,1,2-oxathiane 2,2-dioxide,1,4-butylene sulfone,delta-valerosultone,1,4-butanesulfone PubChem CID: 15411 IUPAC Name: oxathiane 2,2-dioxide SMILES: O=S1(=O)CCCCO1

PubChem CID 15411
CAS 1633-83-6
Molecular Weight (g/mol) 136.17
MDL Number MFCD00006584
SMILES O=S1(=O)CCCCO1
Synonym 1,4-butane sultone,1,4-butanesultone,butane sultone,butanesultone,1,2-oxathiane, 2,2-dioxide,butanesulfone,1,2-oxathiane 2,2-dioxide,1,4-butylene sulfone,delta-valerosultone,1,4-butanesulfone
IUPAC Name oxathiane 2,2-dioxide
InChI Key MHYFEEDKONKGEB-UHFFFAOYSA-N
Molecular Formula C4H8O3S
9

2,2,2-Trifluoroethyl trifluoromethanesulfonate, 97%

CAS: 6226-25-1 Molecular Formula: C3H2F6O3S Molecular Weight (g/mol): 232.1 InChI Key: RTMMSCJWQYWMNK-UHFFFAOYSA-N Synonym: 2,2,2-trifluoroethyltrifluoromethanesulfonate,2,2,2-trifluoroethyl triflate,methanesulfonic acid, trifluoro-, 2,2,2-trifluoroethyl ester,trifluoromethanesulfonic acid 2,2,2-trifluoroethyl ester,2,2,2-trifluoroethyl trifluoromethanesulphonate,2,2,2-trifluoroethyl trifluorometanesulfonic acid,2,2,2-trifluoroethyltrifluoromethanesulphonate,2,2,2-trifluoroethyl trifluoromethane sulfonate,trifluoroethyltriflate,trifluoroethyl triflate PubChem CID: 80366 IUPAC Name: 2,2,2-trifluoroethyl trifluoromethanesulfonate SMILES: C(C(F)(F)F)OS(=O)(=O)C(F)(F)F

PubChem CID 80366
CAS 6226-25-1
Molecular Weight (g/mol) 232.1
SMILES C(C(F)(F)F)OS(=O)(=O)C(F)(F)F
Synonym 2,2,2-trifluoroethyltrifluoromethanesulfonate,2,2,2-trifluoroethyl triflate,methanesulfonic acid, trifluoro-, 2,2,2-trifluoroethyl ester,trifluoromethanesulfonic acid 2,2,2-trifluoroethyl ester,2,2,2-trifluoroethyl trifluoromethanesulphonate,2,2,2-trifluoroethyl trifluorometanesulfonic acid,2,2,2-trifluoroethyltrifluoromethanesulphonate,2,2,2-trifluoroethyl trifluoromethane sulfonate,trifluoroethyltriflate,trifluoroethyl triflate
IUPAC Name 2,2,2-trifluoroethyl trifluoromethanesulfonate
InChI Key RTMMSCJWQYWMNK-UHFFFAOYSA-N
Molecular Formula C3H2F6O3S
10

Methyl p-toluenesulfonate, 97%

CAS: 80-48-8 Molecular Formula: C8H10O3S Molecular Weight (g/mol): 186.23 MDL Number: MFCD00008417 InChI Key: VUQUOGPMUUJORT-UHFFFAOYSA-N Synonym: methyl p-toluenesulfonate,methyl tosylate,methyl p-tosylate,methyl toluene-4-sulfonate,methyl-p-toluenesulfonate,p-toluenesulfonic acid, methyl ester,benzenesulfonic acid, 4-methyl-, methyl ester,methyl toluene-4-sulphonate,p-toluenesulfonic acid methyl ester,p-methylbenzenesulfonate methyl ester PubChem CID: 6645 IUPAC Name: methyl 4-methylbenzenesulfonate SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC

PubChem CID 6645
CAS 80-48-8
Molecular Weight (g/mol) 186.23
MDL Number MFCD00008417
SMILES CC1=CC=C(C=C1)S(=O)(=O)OC
Synonym methyl p-toluenesulfonate,methyl tosylate,methyl p-tosylate,methyl toluene-4-sulfonate,methyl-p-toluenesulfonate,p-toluenesulfonic acid, methyl ester,benzenesulfonic acid, 4-methyl-, methyl ester,methyl toluene-4-sulphonate,p-toluenesulfonic acid methyl ester,p-methylbenzenesulfonate methyl ester
IUPAC Name methyl 4-methylbenzenesulfonate
InChI Key VUQUOGPMUUJORT-UHFFFAOYSA-N
Molecular Formula C8H10O3S
11

Methyl methanesulfonate, 99%

CAS: 66-27-3 Molecular Formula: C2H6O3S Molecular Weight (g/mol): 110.13 MDL Number: MFCD00007557 InChI Key: MBABOKRGFJTBAE-UHFFFAOYSA-N Synonym: methyl mesylate,methanesulfonic acid methyl ester,methanesulfonic acid, methyl ester,methylmethane sulfonate,methylmethansulfonat,methyl methanesulphonate,as-dimethyl sulfite,as-dimethyl sulphite,methylmethanesulfonate,methyl methansulfonate PubChem CID: 4156 ChEBI: CHEBI:25255 IUPAC Name: methyl methanesulfonate SMILES: COS(=O)(=O)C

PubChem CID 4156
CAS 66-27-3
Molecular Weight (g/mol) 110.13
ChEBI CHEBI:25255
MDL Number MFCD00007557
SMILES COS(=O)(=O)C
Synonym methyl mesylate,methanesulfonic acid methyl ester,methanesulfonic acid, methyl ester,methylmethane sulfonate,methylmethansulfonat,methyl methanesulphonate,as-dimethyl sulfite,as-dimethyl sulphite,methylmethanesulfonate,methyl methansulfonate
IUPAC Name methyl methanesulfonate
InChI Key MBABOKRGFJTBAE-UHFFFAOYSA-N
Molecular Formula C2H6O3S
12

3-Butynyl p-toluenesulfonate, 96%

CAS: 23418-85-1 Molecular Formula: C11H12O3S Molecular Weight (g/mol): 224.28 MDL Number: MFCD00041687 InChI Key: STOASOOVVADOKH-UHFFFAOYSA-N Synonym: 3-butynyl p-toluenesulfonate,but-3-yn-1-yl 4-methylbenzenesulfonate,3-butynyl tosylate,3-butynyl 4-toluenesulfonate,3-1-butynyl-4-toluenesulphonate,3-butynyl 4-methylbenzenesulfonate,p-toluenesulfonic acid 3-butynyl ester,but-3-ynyl tosylate,4-tosyloxy-1-butyne,acmc-1cgfq PubChem CID: 272020 IUPAC Name: but-3-ynyl 4-methylbenzenesulfonate SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCCC#C

PubChem CID 272020
CAS 23418-85-1
Molecular Weight (g/mol) 224.28
MDL Number MFCD00041687
SMILES CC1=CC=C(C=C1)S(=O)(=O)OCCC#C
Synonym 3-butynyl p-toluenesulfonate,but-3-yn-1-yl 4-methylbenzenesulfonate,3-butynyl tosylate,3-butynyl 4-toluenesulfonate,3-1-butynyl-4-toluenesulphonate,3-butynyl 4-methylbenzenesulfonate,p-toluenesulfonic acid 3-butynyl ester,but-3-ynyl tosylate,4-tosyloxy-1-butyne,acmc-1cgfq
IUPAC Name but-3-ynyl 4-methylbenzenesulfonate
InChI Key STOASOOVVADOKH-UHFFFAOYSA-N
Molecular Formula C11H12O3S
13

(R)-(-)-Glycidyl nosylate, 98%

CAS: 115314-17-5 Molecular Formula: C9H9NO6S Molecular Weight (g/mol): 259.23 MDL Number: MFCD00013436 InChI Key: AIHIHVZYAAMDPM-MRVPVSSYSA-N Synonym: r---glycidyl nosylate,r-glycidyl nosylate,r-oxiran-2-ylmethyl 3-nitrobenzenesulfonate,r-glycidyl 3-nitrobenzenesulfonate,r---glycidyl 3-nitrobenzenesulfonate,r---glycidyl-3-nitrobenzenesulfonate,ccris 6393,oxiranylmethyl r-3-nitrobenzenesulfonate,benzenesulfonic acid, 3-nitro-, oxiranylmethyl ester, r PubChem CID: 146513 IUPAC Name: [(2R)-oxiran-2-yl]methyl 3-nitrobenzenesulfonate SMILES: C1C(O1)COS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

PubChem CID 146513
CAS 115314-17-5
Molecular Weight (g/mol) 259.23
MDL Number MFCD00013436
SMILES C1C(O1)COS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]
Synonym r---glycidyl nosylate,r-glycidyl nosylate,r-oxiran-2-ylmethyl 3-nitrobenzenesulfonate,r-glycidyl 3-nitrobenzenesulfonate,r---glycidyl 3-nitrobenzenesulfonate,r---glycidyl-3-nitrobenzenesulfonate,ccris 6393,oxiranylmethyl r-3-nitrobenzenesulfonate,benzenesulfonic acid, 3-nitro-, oxiranylmethyl ester, r
IUPAC Name [(2R)-oxiran-2-yl]methyl 3-nitrobenzenesulfonate
InChI Key AIHIHVZYAAMDPM-MRVPVSSYSA-N
Molecular Formula C9H9NO6S
14

Isopropyl methanesulfonate, 99%

CAS: 926-06-7 Molecular Formula: C4H10O3S Molecular Weight (g/mol): 138.19 MDL Number: MFCD00047802 InChI Key: SWWHCQCMVCPLEQ-UHFFFAOYSA-N Synonym: isopropyl methanesulfonate,isopropyl mesylate,isopropylmethanesulfonate,methanesulfonic acid, 1-methylethyl ester,isopropyl methane sulphonate,2-propyl methanesulphonate,isopropyl methane sulfonate,methanesulfonic acid, isopropyl ester,isopropyl methanesulphonate,unii-t0k2txy26b PubChem CID: 13551 IUPAC Name: propan-2-yl methanesulfonate SMILES: CC(C)OS(=O)(=O)C

PubChem CID 13551
CAS 926-06-7
Molecular Weight (g/mol) 138.19
MDL Number MFCD00047802
SMILES CC(C)OS(=O)(=O)C
Synonym isopropyl methanesulfonate,isopropyl mesylate,isopropylmethanesulfonate,methanesulfonic acid, 1-methylethyl ester,isopropyl methane sulphonate,2-propyl methanesulphonate,isopropyl methane sulfonate,methanesulfonic acid, isopropyl ester,isopropyl methanesulphonate,unii-t0k2txy26b
IUPAC Name propan-2-yl methanesulfonate
InChI Key SWWHCQCMVCPLEQ-UHFFFAOYSA-N
Molecular Formula C4H10O3S
15

Propargyl p-toluenesulfonate, 97%

CAS: 6165-76-0 Molecular Formula: C10H10O3S Molecular Weight (g/mol): 210.25 MDL Number: MFCD01462194 InChI Key: LMBVCSFXFFROTA-UHFFFAOYSA-N Synonym: propargyl p-toluenesulfonate,propargyl tosylate,prop-2-yn-1-yl 4-methylbenzenesulfonate,p-toluenesulfonic acid, 2-propynyl ester,2-propyn-1-ol, 4-methylbenzenesulfonate,ccris 9146,p-toluenesulfonic acid propargyl ester,propargylp-toluenesulfonate,propargyl p-toluene sulfonate,acmc-209mv7 PubChem CID: 22547 IUPAC Name: prop-2-ynyl 4-methylbenzenesulfonate SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCC#C

PubChem CID 22547
CAS 6165-76-0
Molecular Weight (g/mol) 210.25
MDL Number MFCD01462194
SMILES CC1=CC=C(C=C1)S(=O)(=O)OCC#C
Synonym propargyl p-toluenesulfonate,propargyl tosylate,prop-2-yn-1-yl 4-methylbenzenesulfonate,p-toluenesulfonic acid, 2-propynyl ester,2-propyn-1-ol, 4-methylbenzenesulfonate,ccris 9146,p-toluenesulfonic acid propargyl ester,propargylp-toluenesulfonate,propargyl p-toluene sulfonate,acmc-209mv7
IUPAC Name prop-2-ynyl 4-methylbenzenesulfonate
InChI Key LMBVCSFXFFROTA-UHFFFAOYSA-N
Molecular Formula C10H10O3S