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.

1 – 15 of 226 results

Phenyl isothiocyanate, 98%

CAS: 103-72-0 Molecular Formula: C7H5NS Molecular Weight (g/mol): 135.18 MDL Number: MFCD00004798 InChI Key: QKFJKGMPGYROCL-UHFFFAOYSA-N Synonym: phenyl isothiocyanate,phenylisothiocyanate,thiocarbanil,phenyl mustard oil,benzene, isothiocyanato,pitc,isothiocyanic acid phenyl ester,benzene-1-isothiocyanate,phenylsenfoel,phenyl thioisocyanate PubChem CID: 7673 ChEBI: CHEBI:85103 IUPAC Name: isothiocyanatobenzene SMILES: S=C=NC1=CC=CC=C1

Pricing & Availability
Specifications

PubChem CID	7673
CAS	103-72-0
Molecular Weight (g/mol)	135.18
ChEBI	CHEBI:85103
MDL Number	MFCD00004798
SMILES	S=C=NC1=CC=CC=C1
Synonym	phenyl isothiocyanate,phenylisothiocyanate,thiocarbanil,phenyl mustard oil,benzene, isothiocyanato,pitc,isothiocyanic acid phenyl ester,benzene-1-isothiocyanate,phenylsenfoel,phenyl thioisocyanate
IUPAC Name	isothiocyanatobenzene
InChI Key	QKFJKGMPGYROCL-UHFFFAOYSA-N
Molecular Formula	C7H5NS

Benzyl isothiocyanate, 98%

CAS: 622-78-6 Molecular Formula: C8H7NS Molecular Weight (g/mol): 149.211 MDL Number: MFCD00004819 InChI Key: MDKCFLQDBWCQCV-UHFFFAOYSA-N Synonym: benzyl isothiocyanate,isothiocyanatomethyl benzene,benzyl mustard oil,benzylisothiocyanate,benzylsenfoel,tromacaps,tromalyt,urogran,isothiocyanic acid, benzyl ester,benzyl-isothiocyanate PubChem CID: 2346 ChEBI: CHEBI:17484 IUPAC Name: isothiocyanatomethylbenzene SMILES: C1=CC=C(C=C1)CN=C=S

Pricing & Availability
Specifications

PubChem CID	2346
CAS	622-78-6
Molecular Weight (g/mol)	149.211
ChEBI	CHEBI:17484
MDL Number	MFCD00004819
SMILES	C1=CC=C(C=C1)CN=C=S
Synonym	benzyl isothiocyanate,isothiocyanatomethyl benzene,benzyl mustard oil,benzylisothiocyanate,benzylsenfoel,tromacaps,tromalyt,urogran,isothiocyanic acid, benzyl ester,benzyl-isothiocyanate
IUPAC Name	isothiocyanatomethylbenzene
InChI Key	MDKCFLQDBWCQCV-UHFFFAOYSA-N
Molecular Formula	C8H7NS

4-Methoxybenzyl isothiocyanate, 95%

CAS: 3694-57-3 Molecular Formula: C₉H₉NOS Molecular Weight (g/mol): 179.24 MDL Number: MFCD00041117 InChI Key: IMFQYAJJXFXVMM-UHFFFAOYSA-N Synonym: 4-methoxybenzyl isothiocyanate,1-isothiocyanatomethyl-4-methoxybenzene,4-methoxybenzylisothiocyanate,benzene, 1-isothiocyanatomethyl-4-methoxy,p-methoxybenzyl isothiocyanate,1-isothiocyanatomethyl-4-methoxy-benzene,chembl81201,4-methoxybenzyl isothiocyanate 5gr,acmc-1cq6l PubChem CID: 123197 IUPAC Name: 1-(isothiocyanatomethyl)-4-methoxybenzene SMILES: COC1=CC=C(C=C1)CN=C=S

Pricing & Availability
Specifications

PubChem CID	123197
CAS	3694-57-3
Molecular Weight (g/mol)	179.24
MDL Number	MFCD00041117
SMILES	COC1=CC=C(C=C1)CN=C=S
Synonym	4-methoxybenzyl isothiocyanate,1-isothiocyanatomethyl-4-methoxybenzene,4-methoxybenzylisothiocyanate,benzene, 1-isothiocyanatomethyl-4-methoxy,p-methoxybenzyl isothiocyanate,1-isothiocyanatomethyl-4-methoxy-benzene,chembl81201,4-methoxybenzyl isothiocyanate 5gr,acmc-1cq6l
IUPAC Name	1-(isothiocyanatomethyl)-4-methoxybenzene
InChI Key	IMFQYAJJXFXVMM-UHFFFAOYSA-N
Molecular Formula	C₉H₉NOS

Ethyl isothiocyanate, 96%

CAS: 542-85-8 Molecular Formula: C₃H₅NS Molecular Weight (g/mol): 87.14 MDL Number: MFCD00004820 InChI Key: HBNYJWAFDZLWRS-UHFFFAOYSA-N Synonym: ethyl isothiocyanate,ethane, isothiocyanato,ethyl mustard oil,ethylisothiocyanate,isothiocyanic acid, ethyl ester,unii-3284mj2t8p,ccris 7323,ethylisothio-cyanate,isothiocyanato-ethane PubChem CID: 10966 ChEBI: CHEBI:85098 IUPAC Name: isothiocyanatoethane SMILES: CCN=C=S

Pricing & Availability
Specifications

PubChem CID	10966
CAS	542-85-8
Molecular Weight (g/mol)	87.14
ChEBI	CHEBI:85098
MDL Number	MFCD00004820
SMILES	CCN=C=S
Synonym	ethyl isothiocyanate,ethane, isothiocyanato,ethyl mustard oil,ethylisothiocyanate,isothiocyanic acid, ethyl ester,unii-3284mj2t8p,ccris 7323,ethylisothio-cyanate,isothiocyanato-ethane
IUPAC Name	isothiocyanatoethane
InChI Key	HBNYJWAFDZLWRS-UHFFFAOYSA-N
Molecular Formula	C₃H₅NS

2,4-Dimethoxyphenyl isothiocyanate, 95%, Thermo Scientific™

CAS: 33904-03-9 Molecular Formula: C₉H₉NO₂S Molecular Weight (g/mol): 195.24 InChI Key: CNXSCEPTSXPBTP-UHFFFAOYSA-N Synonym: 2,4-dimethoxyphenyl isothiocyanate,1-isothiocyanato-2,4-dimethoxy-benzene,2,4-dimethoxybenzenisothiocyanate,acmc-20aock,2,4-dimethoxyphenylisothiocyanate,1-isothiocyanato-2.4-dimethoxybenzene,isothiocyanic acid 2,4-dimethoxyphenyl ester PubChem CID: 2736202 IUPAC Name: 1-isothiocyanato-2,4-dimethoxybenzene SMILES: COC1=CC(=C(C=C1)N=C=S)OC

Pricing & Availability
Specifications

PubChem CID	2736202
CAS	33904-03-9
Molecular Weight (g/mol)	195.24
SMILES	COC1=CC(=C(C=C1)N=C=S)OC
Synonym	2,4-dimethoxyphenyl isothiocyanate,1-isothiocyanato-2,4-dimethoxy-benzene,2,4-dimethoxybenzenisothiocyanate,acmc-20aock,2,4-dimethoxyphenylisothiocyanate,1-isothiocyanato-2.4-dimethoxybenzene,isothiocyanic acid 2,4-dimethoxyphenyl ester
IUPAC Name	1-isothiocyanato-2,4-dimethoxybenzene
InChI Key	CNXSCEPTSXPBTP-UHFFFAOYSA-N
Molecular Formula	C₉H₉NO₂S

p-Phenylene diisothiocyanate, 99%

CAS: 4044-65-9 Molecular Formula: C₈H₄N₂S₂ Molecular Weight (g/mol): 192.27 MDL Number: MFCD00004811 InChI Key: OMWQUXGVXQELIX-UHFFFAOYSA-N Synonym: bitoscanate,1,4-phenylene diisothiocyanate,jonit,p-phenylene diisothiocyanate,benzene, 1,4-diisothiocyanato,bitoscanat,bitoscanate inn,phenylene thiocyanate,bitoscanatum latin,1,4-phenylenediisothiocyanate PubChem CID: 19958 IUPAC Name: 1,4-diisothiocyanatobenzene SMILES: C1=CC(=CC=C1N=C=S)N=C=S

Pricing & Availability
Specifications

PubChem CID	19958
CAS	4044-65-9
Molecular Weight (g/mol)	192.27
MDL Number	MFCD00004811
SMILES	C1=CC(=CC=C1N=C=S)N=C=S
Synonym	bitoscanate,1,4-phenylene diisothiocyanate,jonit,p-phenylene diisothiocyanate,benzene, 1,4-diisothiocyanato,bitoscanat,bitoscanate inn,phenylene thiocyanate,bitoscanatum latin,1,4-phenylenediisothiocyanate
IUPAC Name	1,4-diisothiocyanatobenzene
InChI Key	OMWQUXGVXQELIX-UHFFFAOYSA-N
Molecular Formula	C₈H₄N₂S₂

1-Naphthyl isothiocyanate, 98%

CAS: 551-06-4 Molecular Formula: C11H7NS Molecular Weight (g/mol): 185.244 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

Pricing & Availability
Specifications

PubChem CID	11080
CAS	551-06-4
Molecular Weight (g/mol)	185.244
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

Allyl isothiocyanate, 94%, stab.

CAS: 57-06-7 Molecular Formula: C4H5NS Molecular Weight (g/mol): 99.151 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

Pricing & Availability
Specifications

PubChem CID	5971
CAS	57-06-7
Molecular Weight (g/mol)	99.151
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
Molecular Formula	C4H5NS

Phenyl Isothiocyanate 98.0+%, TCI America™

Pricing & Availability
Specifications

PubChem CID	7673
CAS	103-72-0
Molecular Weight (g/mol)	135.18
ChEBI	CHEBI:85103
MDL Number	MFCD00004798
SMILES	S=C=NC1=CC=CC=C1
Synonym	phenyl isothiocyanate,phenylisothiocyanate,thiocarbanil,phenyl mustard oil,benzene, isothiocyanato,pitc,isothiocyanic acid phenyl ester,benzene-1-isothiocyanate,phenylsenfoel,phenyl thioisocyanate
IUPAC Name	isothiocyanatobenzene
InChI Key	QKFJKGMPGYROCL-UHFFFAOYSA-N
Molecular Formula	C7H5NS

Methyl 2-Isothiocyanatobenzoate 98.0+%, TCI America™

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

Pricing & Availability
Specifications

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

1-Octyl isothiocyanate, 97%

CAS: 4430-45-9 Molecular Formula: C9H17NS Molecular Weight (g/mol): 171.30 MDL Number: MFCD00041139 InChI Key: YEZHGQZHWKJPCM-UHFFFAOYSA-N Synonym: octyl isothiocyanate,n-octyl isothiocyanate,octylisothiocyanate,1-octyl isothiocyanate,octanisothiocyanate,1-isothiocyanatooctan,octane, 1-isothiocyanato,isothiocyanic acid, octyl ester,n-octylisothiocyanate,acmc-1ajcy PubChem CID: 78161 IUPAC Name: 1-isothiocyanatooctane SMILES: CCCCCCCCN=C=S

Pricing & Availability
Specifications

PubChem CID	78161
CAS	4430-45-9
Molecular Weight (g/mol)	171.30
MDL Number	MFCD00041139
SMILES	CCCCCCCCN=C=S
Synonym	octyl isothiocyanate,n-octyl isothiocyanate,octylisothiocyanate,1-octyl isothiocyanate,octanisothiocyanate,1-isothiocyanatooctan,octane, 1-isothiocyanato,isothiocyanic acid, octyl ester,n-octylisothiocyanate,acmc-1ajcy
IUPAC Name	1-isothiocyanatooctane
InChI Key	YEZHGQZHWKJPCM-UHFFFAOYSA-N
Molecular Formula	C9H17NS

1-Butyl isothiocyanate, 98+%

CAS: 592-82-5 Molecular Formula: C5H9NS Molecular Weight (g/mol): 115.19 MDL Number: MFCD00004824 InChI Key: LIMQQADUEULBSO-UHFFFAOYSA-N Synonym: butyl isothiocyanate,n-butyl isothiocyanate,butyl mustard oil,butane, 1-isothiocyanato,1-butyl isothiocyanate,butylisothiocyanate,isothiocyanic acid, butyl ester,isothiocyanic acid n-butyl ester,1-isothiocyanato-butane,butanisothiocyanate PubChem CID: 11613 ChEBI: CHEBI:50534 IUPAC Name: 1-isothiocyanatobutane SMILES: CCCCN=C=S

Pricing & Availability
Specifications

PubChem CID	11613
CAS	592-82-5
Molecular Weight (g/mol)	115.19
ChEBI	CHEBI:50534
MDL Number	MFCD00004824
SMILES	CCCCN=C=S
Synonym	butyl isothiocyanate,n-butyl isothiocyanate,butyl mustard oil,butane, 1-isothiocyanato,1-butyl isothiocyanate,butylisothiocyanate,isothiocyanic acid, butyl ester,isothiocyanic acid n-butyl ester,1-isothiocyanato-butane,butanisothiocyanate
IUPAC Name	1-isothiocyanatobutane
InChI Key	LIMQQADUEULBSO-UHFFFAOYSA-N
Molecular Formula	C5H9NS

2,4-Dichlorophenyl isothiocyanate, 97%

CAS: 6590-96-1 Molecular Formula: C7H3Cl2NS Molecular Weight (g/mol): 204.07 MDL Number: MFCD00037827 InChI Key: WVBNZZHGECFCSH-UHFFFAOYSA-N Synonym: 2,4-dichlorophenyl isothiocyanate,2,4-dichlorophenylisothiocyanate,benzene,2,4-dichloro-1-isothiocyanato,benzene, 2,4-dichloro-1-isothiocyanato,2,4-dichlorobenzenisothiocyanate,acmc-1b3n1,tos-bb-1123,2,4-dichloro-1-isothiocyanato-benzene,# PubChem CID: 81066 IUPAC Name: 2,4-dichloro-1-isothiocyanatobenzene SMILES: ClC1=CC=C(N=C=S)C(Cl)=C1

Pricing & Availability
Specifications

PubChem CID	81066
CAS	6590-96-1
Molecular Weight (g/mol)	204.07
MDL Number	MFCD00037827
SMILES	ClC1=CC=C(N=C=S)C(Cl)=C1
Synonym	2,4-dichlorophenyl isothiocyanate,2,4-dichlorophenylisothiocyanate,benzene,2,4-dichloro-1-isothiocyanato,benzene, 2,4-dichloro-1-isothiocyanato,2,4-dichlorobenzenisothiocyanate,acmc-1b3n1,tos-bb-1123,2,4-dichloro-1-isothiocyanato-benzene,#
IUPAC Name	2,4-dichloro-1-isothiocyanatobenzene
InChI Key	WVBNZZHGECFCSH-UHFFFAOYSA-N
Molecular Formula	C7H3Cl2NS

1-Propyl isothiocyanate, 97%

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

Pricing & Availability
Specifications

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

2-Phenylethyl isothiocyanate, 98%

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

Pricing & Availability
Specifications

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

Isothiocyanates

Isothiocyanates

Filtered Search Results

Narrow Results

Phenyl Isothiocyanate 98.0+%, TCI America™ Small and Specialty Supplier PartnerSmall and/or specialty supplier based on Federal laws and SBA requirements.Learn More

Methyl 2-Isothiocyanatobenzoate 98.0+%, TCI America™ Small and Specialty Supplier PartnerSmall and/or specialty supplier based on Federal laws and SBA requirements.Learn More

Phenyl Isothiocyanate 98.0+%, TCI America™

Methyl 2-Isothiocyanatobenzoate 98.0+%, TCI America™