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Isothiocyanates

Organosulfur compounds that contain a sulfur atom bonded to a carbon atom that is bonded to a nitrogen atom via two double bonds in the following structure: S=C=N.
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1 – 8 of 8 results
1

Allyl isothiocyanate, 94%, stabilized with 0.01% alpha-tocopherol

CAS: 57-06-7 MDL Number: MFCD00004822 InChI Key: ZOJBYZNEUISWFT-UHFFFAOYSA-N Synonym: allyl isothiocyanate,mustard oil,redskin,allylsenevol,allylsenfoel,allyl mustard oil,oleum sinapis,oil of mustard,allylsevenolum,senfoel PubChem CID: 5971 ChEBI: CHEBI:73224 IUPAC Name: 3-isothiocyanatoprop-1-ene SMILES: C=CCN=C=S

PubChem CID 5971
CAS 57-06-7
ChEBI CHEBI:73224
MDL Number MFCD00004822
SMILES C=CCN=C=S
Synonym allyl isothiocyanate,mustard oil,redskin,allylsenevol,allylsenfoel,allyl mustard oil,oleum sinapis,oil of mustard,allylsevenolum,senfoel
IUPAC Name 3-isothiocyanatoprop-1-ene
InChI Key ZOJBYZNEUISWFT-UHFFFAOYSA-N
2

2-(trifluoromethoxy)phenyl isothiocyanate, Thermo Scientific™

CAS: 175205-33-1 Molecular Formula: C8H4F3NOS Molecular Weight (g/mol): 219.18 MDL Number: MFCD00220860 InChI Key: ZFEJYPIWOGCCFS-UHFFFAOYSA-N PubChem CID: 2777336 IUPAC Name: 1-isothiocyanato-2-(trifluoromethoxy)benzene SMILES: FC(F)(F)OC1=CC=CC=C1N=C=S

PubChem CID 2777336
CAS 175205-33-1
Molecular Weight (g/mol) 219.18
MDL Number MFCD00220860
SMILES FC(F)(F)OC1=CC=CC=C1N=C=S
IUPAC Name 1-isothiocyanato-2-(trifluoromethoxy)benzene
InChI Key ZFEJYPIWOGCCFS-UHFFFAOYSA-N
Molecular Formula C8H4F3NOS
4

1-Naphthyl isothiocyanate, 98%

CAS: 551-06-4 Molecular Formula: C11H7NS Molecular Weight (g/mol): 185.25 MDL Number: MFCD00003882 InChI Key: JBDOSUUXMYMWQH-UHFFFAOYSA-N Synonym: 1-naphthyl isothiocyanate,1-naphthylisothiocyanate,anit,kesscocide,alpha-naphthyl isothiocyanate,naphthalene, 1-isothiocyanato,naphthalene, isothiocyanato,isothiocyanic acid, 1-naphthyl ester,1-naftylisothiokyanat,isothiocyanic acid 1-naphthyl ester PubChem CID: 11080 ChEBI: CHEBI:35455 IUPAC Name: 1-isothiocyanatonaphthalene SMILES: C1=CC=C2C(=C1)C=CC=C2N=C=S

PubChem CID 11080
CAS 551-06-4
Molecular Weight (g/mol) 185.25
ChEBI CHEBI:35455
MDL Number MFCD00003882
SMILES C1=CC=C2C(=C1)C=CC=C2N=C=S
Synonym 1-naphthyl isothiocyanate,1-naphthylisothiocyanate,anit,kesscocide,alpha-naphthyl isothiocyanate,naphthalene, 1-isothiocyanato,naphthalene, isothiocyanato,isothiocyanic acid, 1-naphthyl ester,1-naftylisothiokyanat,isothiocyanic acid 1-naphthyl ester
IUPAC Name 1-isothiocyanatonaphthalene
InChI Key JBDOSUUXMYMWQH-UHFFFAOYSA-N
Molecular Formula C11H7NS
5

Alfa Aesar™ Cyclopentyl isothiocyanate, 98%, Thermo Scientific™

CAS: 33522-03-1 Molecular Formula: C6H9NS Molecular Weight (g/mol): 127.205 MDL Number: MFCD00040877 InChI Key: PJOODZCPFADLCI-UHFFFAOYSA-N Synonym: cyclopentyl isothiocyanate,cyclopentane, isothiocyanato,isothiocyanato-cyclopentane,cyclopentanisothiocyanate,cyclopentylisothiocyanate,acmc-20albz PubChem CID: 141792 IUPAC Name: isothiocyanatocyclopentane SMILES: C1CCC(C1)N=C=S

PubChem CID 141792
CAS 33522-03-1
Molecular Weight (g/mol) 127.205
MDL Number MFCD00040877
SMILES C1CCC(C1)N=C=S
Synonym cyclopentyl isothiocyanate,cyclopentane, isothiocyanato,isothiocyanato-cyclopentane,cyclopentanisothiocyanate,cyclopentylisothiocyanate,acmc-20albz
IUPAC Name isothiocyanatocyclopentane
InChI Key PJOODZCPFADLCI-UHFFFAOYSA-N
Molecular Formula C6H9NS
7

(+/-)-1-Phenylethyl isothiocyanate, 97%, Thermo Scientific™

CAS: 4478-92-6 Molecular Formula: C9H9NS Molecular Weight (g/mol): 163.24 MDL Number: MFCD00022061 InChI Key: QQCJPTVZIZVKEZ-UHFFFAOYNA-N Synonym: 1-phenylethyl isothiocyanate,1-isothiocyanatoethyl benzene,alpha-methylbenzyl isothiocyanate,benzene, 1-isothiocyanatoethyl,dl-alpha-methylbenzyl isothiocyanate,dl-alpha-methylbenzylisothiocyanate,l-alpha-methylbenzyl isothiocyanate,+/--1-phenylethyl isothiocyanate,isothiocyanic acid, alpha-methylbenzyl ester,dl-.alpha.-methylbenzyl isothiocyanate PubChem CID: 20559 IUPAC Name: 1-isothiocyanatoethylbenzene SMILES: CC(N=C=S)C1=CC=CC=C1

PubChem CID 20559
CAS 4478-92-6
Molecular Weight (g/mol) 163.24
MDL Number MFCD00022061
SMILES CC(N=C=S)C1=CC=CC=C1
Synonym 1-phenylethyl isothiocyanate,1-isothiocyanatoethyl benzene,alpha-methylbenzyl isothiocyanate,benzene, 1-isothiocyanatoethyl,dl-alpha-methylbenzyl isothiocyanate,dl-alpha-methylbenzylisothiocyanate,l-alpha-methylbenzyl isothiocyanate,+/--1-phenylethyl isothiocyanate,isothiocyanic acid, alpha-methylbenzyl ester,dl-.alpha.-methylbenzyl isothiocyanate
IUPAC Name 1-isothiocyanatoethylbenzene
InChI Key QQCJPTVZIZVKEZ-UHFFFAOYNA-N
Molecular Formula C9H9NS