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Organosulfur Compounds

Organic compounds that contain one or more sulfur atoms, or sulfur-containing functional groups.
Isothiocyanates (54)
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1 – 15 of 57 results
1

4-(Benzyloxy)phenyl isothiocyanate 97%, Thermo Scientific™

CAS: 139768-71-1 Molecular Formula: C14H11NOS Molecular Weight (g/mol): 241.308 InChI Key: OQXRBXAFSXVCCO-UHFFFAOYSA-N Synonym: 4-benzyloxyphenyl isothiocyanate,4-benzyloxyphenylisothiocyanate,1-benzyloxy-4-isothiocyanatobenzene,4-phenylmethoxy benzenisothiocyanate,acmc-20amoj,4-benzyloxyisothiocyanate,4-phenylmethoxyphenylisothiocyanate,4-benzyloxy phenyl isothiocyanate,4-phenylmethoxy phenyl isothiocyanate,1-isothiocyanato-4-phenylmethoxy-benzene PubChem CID: 2735503 IUPAC Name: 1-isothiocyanato-4-phenylmethoxybenzene SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)N=C=S

PubChem CID 2735503
CAS 139768-71-1
Molecular Weight (g/mol) 241.308
SMILES C1=CC=C(C=C1)COC2=CC=C(C=C2)N=C=S
Synonym 4-benzyloxyphenyl isothiocyanate,4-benzyloxyphenylisothiocyanate,1-benzyloxy-4-isothiocyanatobenzene,4-phenylmethoxy benzenisothiocyanate,acmc-20amoj,4-benzyloxyisothiocyanate,4-phenylmethoxyphenylisothiocyanate,4-benzyloxy phenyl isothiocyanate,4-phenylmethoxy phenyl isothiocyanate,1-isothiocyanato-4-phenylmethoxy-benzene
IUPAC Name 1-isothiocyanato-4-phenylmethoxybenzene
InChI Key OQXRBXAFSXVCCO-UHFFFAOYSA-N
Molecular Formula C14H11NOS
2

4-chloro-3-nitrophenyl isothiocyanate, Thermo Scientific™

CAS: 127142-66-9 Molecular Formula: C7H3ClN2O2S Molecular Weight (g/mol): 214.623 InChI Key: ZXGZBHIDSJXKLE-UHFFFAOYSA-N Synonym: 4-chloro-3-nitrophenyl isothiocyanate,4-chloro-3-nitrophenylisothiocyanate,acmc-1c0qb,4-chloro-3-nitrobenzenisothiocyanate,#,benzene,1-chloro-4-isothiocyanato-2-nitro,1-chloranyl-4-isothiocyanato-2-nitro-benzene PubChem CID: 145581 IUPAC Name: 1-chloro-4-isothiocyanato-2-nitrobenzene SMILES: C1=CC(=C(C=C1N=C=S)[N+](=O)[O-])Cl

PubChem CID 145581
CAS 127142-66-9
Molecular Weight (g/mol) 214.623
SMILES C1=CC(=C(C=C1N=C=S)[N+](=O)[O-])Cl
Synonym 4-chloro-3-nitrophenyl isothiocyanate,4-chloro-3-nitrophenylisothiocyanate,acmc-1c0qb,4-chloro-3-nitrobenzenisothiocyanate,#,benzene,1-chloro-4-isothiocyanato-2-nitro,1-chloranyl-4-isothiocyanato-2-nitro-benzene
IUPAC Name 1-chloro-4-isothiocyanato-2-nitrobenzene
InChI Key ZXGZBHIDSJXKLE-UHFFFAOYSA-N
Molecular Formula C7H3ClN2O2S
3

ethyle2-({[(2-ethoxy-2-oxoethyl)thio]methyl}thio)acetate, 97%, Thermo Scientific™

CAS: 61713-23-3 Molecular Formula: C9H16O4S2 Molecular Weight (g/mol): 252.343 MDL Number: MFCD00026901 InChI Key: NBNGVIRHOBZBHM-UHFFFAOYSA-N Synonym: methylenebis ethyl thioglycolate,ethyl 2-2-ethoxy-2-oxoethyl thio methyl thio acetate,ethyl 2-2-ethoxy-2-oxoethyl sulfanyl methyl sulfanyl acetate,ethyl 2-ethoxy-2-oxoethyl sulfanyl methyl sulfanyl acetate,diethyl 2,2'-methylenedisulfanediyl diacetate,diethyl 2,2'-methylenebis sulfanediyl diacetate,ethyl 2-ethoxycarbonyl methylthio methylthio acetate,ethyl 2-2-ethoxy-2-oxoethyl sulfanylmethylsulfanyl acetate,aceticacid, 2,2'-methylenebis thio bis-, diethyl ester 9ci PubChem CID: 521987 IUPAC Name: ethyl 2-[(2-ethoxy-2-oxoethyl)sulfanylmethylsulfanyl]acetate SMILES: CCOC(=O)CSCSCC(=O)OCC

PubChem CID 521987
CAS 61713-23-3
Molecular Weight (g/mol) 252.343
MDL Number MFCD00026901
SMILES CCOC(=O)CSCSCC(=O)OCC
Synonym methylenebis ethyl thioglycolate,ethyl 2-2-ethoxy-2-oxoethyl thio methyl thio acetate,ethyl 2-2-ethoxy-2-oxoethyl sulfanyl methyl sulfanyl acetate,ethyl 2-ethoxy-2-oxoethyl sulfanyl methyl sulfanyl acetate,diethyl 2,2'-methylenedisulfanediyl diacetate,diethyl 2,2'-methylenebis sulfanediyl diacetate,ethyl 2-ethoxycarbonyl methylthio methylthio acetate,ethyl 2-2-ethoxy-2-oxoethyl sulfanylmethylsulfanyl acetate,aceticacid, 2,2'-methylenebis thio bis-, diethyl ester 9ci
IUPAC Name ethyl 2-[(2-ethoxy-2-oxoethyl)sulfanylmethylsulfanyl]acetate
InChI Key NBNGVIRHOBZBHM-UHFFFAOYSA-N
Molecular Formula C9H16O4S2
4

2-[(2-Aminoethyl)thio]ethan-1-ol, ≥90%, Thermo Scientific™

CAS: 24304-84-5 Molecular Formula: C4H11NOS Molecular Weight (g/mol): 121.198 InChI Key: ZRZOERYTFAWUQQ-UHFFFAOYSA-N Synonym: 2-2-aminoethyl thio ethanol,2-2-aminoethyl sulfanyl ethanol,2-2-aminoethyl thio ethan-1-ol,ethanol,2-2-aminoethyl thio,2-2-aminoethylthio ethanol,2-2-aminoethylthio ethan-1-ol,5-amino-3-thiapentane-1-ol,2-amino-2-hydroxydiethylsulfite,2-2-aminoethylsulfanyl ethanol PubChem CID: 90457 IUPAC Name: 2-(2-aminoethylsulfanyl)ethanol SMILES: C(CSCCO)N

PubChem CID 90457
CAS 24304-84-5
Molecular Weight (g/mol) 121.198
SMILES C(CSCCO)N
Synonym 2-2-aminoethyl thio ethanol,2-2-aminoethyl sulfanyl ethanol,2-2-aminoethyl thio ethan-1-ol,ethanol,2-2-aminoethyl thio,2-2-aminoethylthio ethanol,2-2-aminoethylthio ethan-1-ol,5-amino-3-thiapentane-1-ol,2-amino-2-hydroxydiethylsulfite,2-2-aminoethylsulfanyl ethanol
IUPAC Name 2-(2-aminoethylsulfanyl)ethanol
InChI Key ZRZOERYTFAWUQQ-UHFFFAOYSA-N
Molecular Formula C4H11NOS
5

2-(3-Chlorophenoxy)ethanethioamide, ≥95%, Thermo Scientific™

CAS: 35370-95-7 Molecular Formula: C8H8ClNOS Molecular Weight (g/mol): 201.668 MDL Number: MFCD00052479 InChI Key: RPAOLVIADVQKNA-UHFFFAOYSA-N Synonym: 2-3-chlorophenoxy ethanethioamide,2-3-chlorophenoxy thioacetamide,1-amino-2-3-chlorophenoxy ethane-1-thione,maybridge1_008529,3-chlorophenoxy thioacetamide,2-3-chlorophenoxy ethanethioamide #,ethanethioamide,2-3-chlorophenoxy PubChem CID: 2743553 IUPAC Name: 2-(3-chlorophenoxy)ethanethioamide SMILES: C1=CC(=CC(=C1)Cl)OCC(=S)N

PubChem CID 2743553
CAS 35370-95-7
Molecular Weight (g/mol) 201.668
MDL Number MFCD00052479
SMILES C1=CC(=CC(=C1)Cl)OCC(=S)N
Synonym 2-3-chlorophenoxy ethanethioamide,2-3-chlorophenoxy thioacetamide,1-amino-2-3-chlorophenoxy ethane-1-thione,maybridge1_008529,3-chlorophenoxy thioacetamide,2-3-chlorophenoxy ethanethioamide #,ethanethioamide,2-3-chlorophenoxy
IUPAC Name 2-(3-chlorophenoxy)ethanethioamide
InChI Key RPAOLVIADVQKNA-UHFFFAOYSA-N
Molecular Formula C8H8ClNOS
6

2-Thiomorpholinoisonicotinaldehyde, 97%, Thermo Scientific™

CAS: 898289-24-2 Molecular Formula: C10H12N2OS Molecular Weight (g/mol): 208.28 MDL Number: MFCD09702361 InChI Key: XESFZSHCANCGBY-UHFFFAOYSA-N Synonym: 2-thiomorpholinoisonicotinaldehyde,2-thiomorpholin-4-yl pyridine-4-carbaldehyde,2-thiomorpholin-4-yl pyridine-4-carboxaldehyde,4-pyridinecarboxaldehyde,2-4-thiomorpholinyl,2-thiomorpholin-4-yl isonicotinaldehyde,2-1,4-thiazaperhydroin-4-yl pyridine-4-carbaldehyde PubChem CID: 24229507 IUPAC Name: 2-thiomorpholin-4-ylpyridine-4-carbaldehyde SMILES: O=CC1=CC(=NC=C1)N1CCSCC1

PubChem CID 24229507
CAS 898289-24-2
Molecular Weight (g/mol) 208.28
MDL Number MFCD09702361
SMILES O=CC1=CC(=NC=C1)N1CCSCC1
Synonym 2-thiomorpholinoisonicotinaldehyde,2-thiomorpholin-4-yl pyridine-4-carbaldehyde,2-thiomorpholin-4-yl pyridine-4-carboxaldehyde,4-pyridinecarboxaldehyde,2-4-thiomorpholinyl,2-thiomorpholin-4-yl isonicotinaldehyde,2-1,4-thiazaperhydroin-4-yl pyridine-4-carbaldehyde
IUPAC Name 2-thiomorpholin-4-ylpyridine-4-carbaldehyde
InChI Key XESFZSHCANCGBY-UHFFFAOYSA-N
Molecular Formula C10H12N2OS
7

Cyclopropylmethyleisothiocyanate, 97%, Thermo Scientific™

CAS: 6068-90-2 Molecular Formula: C5H7NS Molecular Weight (g/mol): 113.178 MDL Number: MFCD00052446 InChI Key: YRJONJBJAYHHQB-UHFFFAOYSA-N Synonym: cyclopropylmethyl isothiocyanate,isothiocyanatomethyl cyclopropane,cyclopropylmethylisothiocyanate,cyclopropane, isothiocyanatomethyl,cyclopropylmethanisothiocyanate PubChem CID: 2795403 IUPAC Name: isothiocyanatomethylcyclopropane SMILES: C1CC1CN=C=S

PubChem CID 2795403
CAS 6068-90-2
Molecular Weight (g/mol) 113.178
MDL Number MFCD00052446
SMILES C1CC1CN=C=S
Synonym cyclopropylmethyl isothiocyanate,isothiocyanatomethyl cyclopropane,cyclopropylmethylisothiocyanate,cyclopropane, isothiocyanatomethyl,cyclopropylmethanisothiocyanate
IUPAC Name isothiocyanatomethylcyclopropane
InChI Key YRJONJBJAYHHQB-UHFFFAOYSA-N
Molecular Formula C5H7NS
8

tert-Butyl N-(3-amino-3-thioxopropyl)carbamate, 97%, Thermo Scientific™

CAS: 77152-97-7 Molecular Formula: C8H16N2O2S Molecular Weight (g/mol): 204.288 MDL Number: MFCD02180883 InChI Key: OBDMXQCRRWGEQM-UHFFFAOYSA-N Synonym: tert-butyl n-3-amino-3-thioxopropyl carbamate,tert-butyl 3-amino-3-thioxopropylcarbamate,tert-butyl n-2-carbamothioylethyl carbamate,tert-butyl 3-amino-3-thioxopropyl carbamate,3-tert-butoxycarbonyl amino propanethioamide,tert-butyl 3-amino-3-thioxoprop-1-yl carbamate,2-thiocarbamoylethyl carbamic acid tert-butyl ester,carbamic acid,n-3-amino-3-thioxopropyl-, 1,1-dimethylethyl ester,tert-butyl 2-thiocarbamoylethylcarbamate,3-tert-butoxycarbonylamino propanethioamide PubChem CID: 2735653 IUPAC Name: tert-butyl N-(3-amino-3-sulfanylidenepropyl)carbamate SMILES: CC(C)(C)OC(=O)NCCC(=S)N

PubChem CID 2735653
CAS 77152-97-7
Molecular Weight (g/mol) 204.288
MDL Number MFCD02180883
SMILES CC(C)(C)OC(=O)NCCC(=S)N
Synonym tert-butyl n-3-amino-3-thioxopropyl carbamate,tert-butyl 3-amino-3-thioxopropylcarbamate,tert-butyl n-2-carbamothioylethyl carbamate,tert-butyl 3-amino-3-thioxopropyl carbamate,3-tert-butoxycarbonyl amino propanethioamide,tert-butyl 3-amino-3-thioxoprop-1-yl carbamate,2-thiocarbamoylethyl carbamic acid tert-butyl ester,carbamic acid,n-3-amino-3-thioxopropyl-, 1,1-dimethylethyl ester,tert-butyl 2-thiocarbamoylethylcarbamate,3-tert-butoxycarbonylamino propanethioamide
IUPAC Name tert-butyl N-(3-amino-3-sulfanylidenepropyl)carbamate
InChI Key OBDMXQCRRWGEQM-UHFFFAOYSA-N
Molecular Formula C8H16N2O2S
11

2-(Methylthio)-4,5-dihydro-1H-imidazole hydrobromide, Thermo Scientific™

CAS: 40241-78-9 Molecular Formula: C4H9BrN2S Molecular Weight (g/mol): 197.094 MDL Number: MFCD01570110 InChI Key: UPISCLUJZRQPPJ-UHFFFAOYSA-N Synonym: 2-methylthio-4,5-dihydro-1h-imidazole hydrobromide,4,5-dihydro-2-methylthio-1h-imidazole monohydrobromide,2-methylsulfanyl-4,5-dihydro-1h-imidazole hydrobromide,2-methylthio-2-imidazoline, bromide,1h-imidazole,4,5-dihydro-2-methylthio-, hydrobromide 1:1 PubChem CID: 2777335 IUPAC Name: 2-methylsulfanyl-4,5-dihydro-1H-imidazole;hydrobromide SMILES: CSC1=NCCN1.Br

PubChem CID 2777335
CAS 40241-78-9
Molecular Weight (g/mol) 197.094
MDL Number MFCD01570110
SMILES CSC1=NCCN1.Br
Synonym 2-methylthio-4,5-dihydro-1h-imidazole hydrobromide,4,5-dihydro-2-methylthio-1h-imidazole monohydrobromide,2-methylsulfanyl-4,5-dihydro-1h-imidazole hydrobromide,2-methylthio-2-imidazoline, bromide,1h-imidazole,4,5-dihydro-2-methylthio-, hydrobromide 1:1
IUPAC Name 2-methylsulfanyl-4,5-dihydro-1H-imidazole;hydrobromide
InChI Key UPISCLUJZRQPPJ-UHFFFAOYSA-N
Molecular Formula C4H9BrN2S
12

4-(Trifluoromethoxy)phenyl isothiocyanate, 97%, Thermo Scientific™

CAS: 64285-95-6 Molecular Formula: C8H4F3NOS Molecular Weight (g/mol): 219.181 MDL Number: MFCD00042412 InChI Key: JKSZUQPHKOPVHF-UHFFFAOYSA-N PubChem CID: 2777338 IUPAC Name: 1-isothiocyanato-4-(trifluoromethoxy)benzene SMILES: C1=CC(=CC=C1N=C=S)OC(F)(F)F

PubChem CID 2777338
CAS 64285-95-6
Molecular Weight (g/mol) 219.181
MDL Number MFCD00042412
SMILES C1=CC(=CC=C1N=C=S)OC(F)(F)F
IUPAC Name 1-isothiocyanato-4-(trifluoromethoxy)benzene
InChI Key JKSZUQPHKOPVHF-UHFFFAOYSA-N
Molecular Formula C8H4F3NOS
13

Propyl isothiocyanate, 97%, Thermo Scientific™

CAS: 628-30-8 Molecular Formula: C4H7NS Molecular Weight (g/mol): 101.167 MDL Number: MFCD00004823 InChI Key: KKASGUHLXWAKEZ-UHFFFAOYSA-N Synonym: propyl isothiocyanate,propylisothiocyanate,propane, 1-isothiocyanato,n-propyl isothiocyanate,isothiocyanic acid propyl ester,isothiocyanic acid, propyl ester,isothiocyanic acid n-propyl ester,1-propyl isothiocyanate,propanisothiocyanate,1-isothiocyanatopropan PubChem CID: 69403 IUPAC Name: 1-isothiocyanatopropane SMILES: CCCN=C=S

PubChem CID 69403
CAS 628-30-8
Molecular Weight (g/mol) 101.167
MDL Number MFCD00004823
SMILES CCCN=C=S
Synonym propyl isothiocyanate,propylisothiocyanate,propane, 1-isothiocyanato,n-propyl isothiocyanate,isothiocyanic acid propyl ester,isothiocyanic acid, propyl ester,isothiocyanic acid n-propyl ester,1-propyl isothiocyanate,propanisothiocyanate,1-isothiocyanatopropan
IUPAC Name 1-isothiocyanatopropane
InChI Key KKASGUHLXWAKEZ-UHFFFAOYSA-N
Molecular Formula C4H7NS
14

Methyle2-isothiocyanatobenzoate, 97%, Thermo Scientific™

CAS: 16024-82-1 Molecular Formula: C9H7NO2S Molecular Weight (g/mol): 193.22 MDL Number: MFCD00041062 InChI Key: UNXVHBOJSCWVCD-UHFFFAOYSA-N Synonym: 2-isothiocyanato-benzoic acid methyl ester,2-methoxycarbonylphenyl isothiocyanate,2-methoxycarbonyl phenyl isothiocyanate,benzoic acid,2-isothiocyanato-, methyl ester,benzoic acid, 2-isothiocyanato-, methyl ester,acmc-209dkr,methyl2-isothiocyanatobenzoate,methyl 2-isothiocyanato benzoate,methyl 2-isothiocyanatobenzenecarboxylate,2-isothiocyanatobenzoic acid methyl ester PubChem CID: 85243 IUPAC Name: methyl 2-isothiocyanatobenzoate SMILES: COC(=O)C1=CC=CC=C1N=C=S

PubChem CID 85243
CAS 16024-82-1
Molecular Weight (g/mol) 193.22
MDL Number MFCD00041062
SMILES COC(=O)C1=CC=CC=C1N=C=S
Synonym 2-isothiocyanato-benzoic acid methyl ester,2-methoxycarbonylphenyl isothiocyanate,2-methoxycarbonyl phenyl isothiocyanate,benzoic acid,2-isothiocyanato-, methyl ester,benzoic acid, 2-isothiocyanato-, methyl ester,acmc-209dkr,methyl2-isothiocyanatobenzoate,methyl 2-isothiocyanato benzoate,methyl 2-isothiocyanatobenzenecarboxylate,2-isothiocyanatobenzoic acid methyl ester
IUPAC Name methyl 2-isothiocyanatobenzoate
InChI Key UNXVHBOJSCWVCD-UHFFFAOYSA-N
Molecular Formula C9H7NO2S
15

Phenethyleisothiocyanate, 97%, Thermo Scientific™

CAS: 2257-09-2 Molecular Formula: C9H9NS Molecular Weight (g/mol): 163.24 MDL Number: MFCD00004821 InChI Key: IZJDOKYDEWTZSO-UHFFFAOYSA-N Synonym: 2-phenylethyl isothiocyanate,phenethyl isothiocyanate,phenylethyl isothiocyanate,2-isothiocyanatoethyl benzene,phenethyl mustard oil,phenylaethylsenfoel,benzene, 2-isothiocyanatoethyl,peitc,phenylethyl mustard oil,2-phenylethylisothiocyanate PubChem CID: 16741 ChEBI: CHEBI:351346 IUPAC Name: 2-isothiocyanatoethylbenzene SMILES: C1=CC=C(C=C1)CCN=C=S

PubChem CID 16741
CAS 2257-09-2
Molecular Weight (g/mol) 163.24
ChEBI CHEBI:351346
MDL Number MFCD00004821
SMILES C1=CC=C(C=C1)CCN=C=S
Synonym 2-phenylethyl isothiocyanate,phenethyl isothiocyanate,phenylethyl isothiocyanate,2-isothiocyanatoethyl benzene,phenethyl mustard oil,phenylaethylsenfoel,benzene, 2-isothiocyanatoethyl,peitc,phenylethyl mustard oil,2-phenylethylisothiocyanate
IUPAC Name 2-isothiocyanatoethylbenzene
InChI Key IZJDOKYDEWTZSO-UHFFFAOYSA-N
Molecular Formula C9H9NS