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 120 results

Allyl isothiocyanate, 94%, stabilized with 0.01% alpha-tocopherol, Thermo Scientific Chemicals

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

Pricing and Availability
Specifications

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

Phenyl isothiocyanate, 98%, Thermo Scientific Chemicals

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 and 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

tert-Butyl isothiocyanate, 97%, Thermo Scientific Chemicals

CAS: 590-42-1 Molecular Formula: C5H9NS Molecular Weight (g/mol): 115.19 MDL Number: MFCD00004816 InChI Key: ZFWFRTVIIMTOLY-UHFFFAOYSA-N Synonym: tert-butyl isothiocyanate,t-butyl isothiocyanate,propane, 2-isothiocyanato-2-methyl,tert-butylisothiocyanate,tert.-butyl isothiocyanate,2-isothiocyanato-2-methyl-propane,tert butyl isothiocyanate,tert-butyliso thiocyanate,butyl isothiocyanate, tert,t-butylisothiocyanate PubChem CID: 11544 IUPAC Name: 2-isothiocyanato-2-methylpropane SMILES: CC(C)(C)N=C=S

Pricing and Availability
Specifications

PubChem CID	11544
CAS	590-42-1
Molecular Weight (g/mol)	115.19
MDL Number	MFCD00004816
SMILES	CC(C)(C)N=C=S
Synonym	tert-butyl isothiocyanate,t-butyl isothiocyanate,propane, 2-isothiocyanato-2-methyl,tert-butylisothiocyanate,tert.-butyl isothiocyanate,2-isothiocyanato-2-methyl-propane,tert butyl isothiocyanate,tert-butyliso thiocyanate,butyl isothiocyanate, tert,t-butylisothiocyanate
IUPAC Name	2-isothiocyanato-2-methylpropane
InChI Key	ZFWFRTVIIMTOLY-UHFFFAOYSA-N
Molecular Formula	C5H9NS

Cyclohexyl isothiocyanate, 98%, Thermo Scientific Chemicals

CAS: 1122-82-3 Molecular Formula: C7H11NS Molecular Weight (g/mol): 141.232 MDL Number: MFCD00003841 InChI Key: MZSJGCPBOVTKHR-UHFFFAOYSA-N Synonym: cyclohexyl isothiocyanate,cyclohexane, isothiocyanato,isothiocyanocyclohexane,cyclohexyl-isothiocyanat,isothiocyanic acid, cyclohexyl ester,cyclohexylisothiocyanate,cyclohexyl isothiocyanate, isothiocyanato,cyclohexyl-isothiocyanat german,isothiocyanato-cyclohexane,isothiocyanic acid cyclohexyl ester PubChem CID: 14289 IUPAC Name: isothiocyanatocyclohexane SMILES: C1CCC(CC1)N=C=S

Pricing and Availability
Specifications

PubChem CID	14289
CAS	1122-82-3
Molecular Weight (g/mol)	141.232
MDL Number	MFCD00003841
SMILES	C1CCC(CC1)N=C=S
Synonym	cyclohexyl isothiocyanate,cyclohexane, isothiocyanato,isothiocyanocyclohexane,cyclohexyl-isothiocyanat,isothiocyanic acid, cyclohexyl ester,cyclohexylisothiocyanate,cyclohexyl isothiocyanate, isothiocyanato,cyclohexyl-isothiocyanat german,isothiocyanato-cyclohexane,isothiocyanic acid cyclohexyl ester
IUPAC Name	isothiocyanatocyclohexane
InChI Key	MZSJGCPBOVTKHR-UHFFFAOYSA-N
Molecular Formula	C7H11NS

Phenyl isothiocyanate, 97%, Thermo Scientific Chemicals

Pricing and 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

2,5-dimethoxyphenyl isothiocyanate, Thermo Scientific™

CAS: 40532-06-7 Molecular Formula: C9H9NO2S Molecular Weight (g/mol): 195.24 MDL Number: MFCD00041059 InChI Key: RADQLZMDTYWZKA-UHFFFAOYSA-N Synonym: 2,5-dimethoxyphenyl isothiocyanate,2,5-dimethoxyphenylisothiocyanate,2-isothiocyanato-1,4-dimethoxy-benzene,benzene, 2-isothiocyanato-1,4-dimethoxy,2,5-dimethoxybenzenisothiocyanate,acmc-1amrr,# PubChem CID: 142466 IUPAC Name: 2-isothiocyanato-1,4-dimethoxybenzene SMILES: COC1=CC=C(OC)C(=C1)N=C=S

Pricing and Availability
Specifications

PubChem CID	142466
CAS	40532-06-7
Molecular Weight (g/mol)	195.24
MDL Number	MFCD00041059
SMILES	COC1=CC=C(OC)C(=C1)N=C=S
Synonym	2,5-dimethoxyphenyl isothiocyanate,2,5-dimethoxyphenylisothiocyanate,2-isothiocyanato-1,4-dimethoxy-benzene,benzene, 2-isothiocyanato-1,4-dimethoxy,2,5-dimethoxybenzenisothiocyanate,acmc-1amrr,#
IUPAC Name	2-isothiocyanato-1,4-dimethoxybenzene
InChI Key	RADQLZMDTYWZKA-UHFFFAOYSA-N
Molecular Formula	C9H9NO2S

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

Pricing and 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

1-Butyl isothiocyanate, 98+%, Thermo Scientific Chemicals

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 and 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

Cyclopropyl isothiocyanate, 97%, Thermo Scientific Chemicals

CAS: 56601-42-4 Molecular Formula: C4H5NS Molecular Weight (g/mol): 99.15 MDL Number: MFCD00040874 InChI Key: JGFBQFKZKSSODQ-UHFFFAOYSA-N Synonym: cyclopropyl isothiocyanate,cyclopropane, isothiocyanato,isothiocyanato-cyclopropane,cyclopropylisothiocyanate,acmc-20albt,pubchem22785,cyclopropyl iso-thiocyanate,cyclopropane,isothiocyanato PubChem CID: 92463 IUPAC Name: isothiocyanatocyclopropane SMILES: S=C=NC1CC1

Pricing and Availability
Specifications

PubChem CID	92463
CAS	56601-42-4
Molecular Weight (g/mol)	99.15
MDL Number	MFCD00040874
SMILES	S=C=NC1CC1
Synonym	cyclopropyl isothiocyanate,cyclopropane, isothiocyanato,isothiocyanato-cyclopropane,cyclopropylisothiocyanate,acmc-20albt,pubchem22785,cyclopropyl iso-thiocyanate,cyclopropane,isothiocyanato
IUPAC Name	isothiocyanatocyclopropane
InChI Key	JGFBQFKZKSSODQ-UHFFFAOYSA-N
Molecular Formula	C4H5NS

Cyclohexylmethyl isothiocyanate, 97%, Thermo Scientific Chemicals

CAS: 52395-66-1 Molecular Formula: C8H13NS Molecular Weight (g/mol): 155.26 MDL Number: MFCD00040881 InChI Key: RYBJNWIQNLZNPE-UHFFFAOYSA-N Synonym: cyclohexanemethyl isothiocyanate,isothiocyanatomethyl cyclohexane,cyclohexylmethyl isothiocyanate,cyclohexylmethanisothiocyanate,cyclohexanemethylisothiocyanate,isothiocyanatomethyl cyclohexane # PubChem CID: 142928 IUPAC Name: isothiocyanatomethylcyclohexane SMILES: S=C=NCC1CCCCC1

Pricing and Availability
Specifications

PubChem CID	142928
CAS	52395-66-1
Molecular Weight (g/mol)	155.26
MDL Number	MFCD00040881
SMILES	S=C=NCC1CCCCC1
Synonym	cyclohexanemethyl isothiocyanate,isothiocyanatomethyl cyclohexane,cyclohexylmethyl isothiocyanate,cyclohexylmethanisothiocyanate,cyclohexanemethylisothiocyanate,isothiocyanatomethyl cyclohexane #
IUPAC Name	isothiocyanatomethylcyclohexane
InChI Key	RYBJNWIQNLZNPE-UHFFFAOYSA-N
Molecular Formula	C8H13NS

Ethyl 3-isothiocyanatopropionate, 97%, Thermo Scientific Chemicals

CAS: 17126-62-4 Molecular Formula: C6H9NO2S Molecular Weight (g/mol): 159.203 MDL Number: MFCD00041130 InChI Key: UPTRONYNXNYITM-UHFFFAOYSA-N Synonym: ethyl 3-isothiocyanatopropionate,3-isothiocyanato-propionic acid ethyl ester,acmc-1ca2j,ethyl-3-isothiocynato propionate,isothiocyanato-propionic acid ethyl ester,3-isothiocyanatopropionic acid ethyl ester,propanoic acid,3-isothiocyanato-,ethyl ester,propanoic acid,3-isothiocyanato-, ethyl ester PubChem CID: 526514 IUPAC Name: ethyl 3-isothiocyanatopropanoate SMILES: CCOC(=O)CCN=C=S

Pricing and Availability
Specifications

PubChem CID	526514
CAS	17126-62-4
Molecular Weight (g/mol)	159.203
MDL Number	MFCD00041130
SMILES	CCOC(=O)CCN=C=S
Synonym	ethyl 3-isothiocyanatopropionate,3-isothiocyanato-propionic acid ethyl ester,acmc-1ca2j,ethyl-3-isothiocynato propionate,isothiocyanato-propionic acid ethyl ester,3-isothiocyanatopropionic acid ethyl ester,propanoic acid,3-isothiocyanato-,ethyl ester,propanoic acid,3-isothiocyanato-, ethyl ester
IUPAC Name	ethyl 3-isothiocyanatopropanoate
InChI Key	UPTRONYNXNYITM-UHFFFAOYSA-N
Molecular Formula	C6H9NO2S

Ethyl isothiocyanate, 97%, Thermo Scientific Chemicals

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 and 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

Phenylethyl isothiocyanate, 96%, Thermo Scientific Chemicals

CAS: 2257-09-2 Molecular Formula: C₉H₉NS Molecular Weight (g/mol): 163.24 MDL Number: MFCD00004821 InChI Key: IZJDOKYDEWTZSO-UHFFFAOYSA-N ChEBI: CHEBI:351346

Pricing and Availability
Specifications

CAS	2257-09-2
Molecular Weight (g/mol)	163.24
ChEBI	CHEBI:351346
MDL Number	MFCD00004821
InChI Key	IZJDOKYDEWTZSO-UHFFFAOYSA-N
Molecular Formula	C₉H₉NS

3,5-Dichlorophenyl isothiocyanate, 98%, Thermo Scientific Chemicals

CAS: 6590-93-8 Molecular Formula: C7H3Cl2NS Molecular Weight (g/mol): 204.07 MDL Number: MFCD00041072 InChI Key: JLEMKZDHFGCHLO-UHFFFAOYSA-N Synonym: 3,5-dichlorophenyl isothiocyanate,3,5-dichlorophenylisothiocyanate,1,3-dichloro-5-isothiocyanato-benzene,benzene,1,3-dichloro-5-isothiocyanato,benzene, 1,3-dichloro-5-isothiocyanato,3,5-dichlorobenzenisothiocyanate,acmc-20and6,3,5-dichloroisothiocyanatobenzene,# PubChem CID: 138776 IUPAC Name: 1,3-dichloro-5-isothiocyanatobenzene SMILES: ClC1=CC(=CC(Cl)=C1)N=C=S

Pricing and Availability
Specifications

PubChem CID	138776
CAS	6590-93-8
Molecular Weight (g/mol)	204.07
MDL Number	MFCD00041072
SMILES	ClC1=CC(=CC(Cl)=C1)N=C=S
Synonym	3,5-dichlorophenyl isothiocyanate,3,5-dichlorophenylisothiocyanate,1,3-dichloro-5-isothiocyanato-benzene,benzene,1,3-dichloro-5-isothiocyanato,benzene, 1,3-dichloro-5-isothiocyanato,3,5-dichlorobenzenisothiocyanate,acmc-20and6,3,5-dichloroisothiocyanatobenzene,#
IUPAC Name	1,3-dichloro-5-isothiocyanatobenzene
InChI Key	JLEMKZDHFGCHLO-UHFFFAOYSA-N
Molecular Formula	C7H3Cl2NS

2-Chloro-4-nitrophenyl isothiocyanate, 97%, Thermo Scientific Chemicals

CAS: 23165-64-2 Molecular Formula: C7H3ClN2O2S Molecular Weight (g/mol): 214.62 MDL Number: MFCD00041244 InChI Key: JSYNALWWKRNZDX-UHFFFAOYSA-N Synonym: 2-chloro-4-nitrophenyl isothiocyanate,2-chloro-4-nitrophenylisothiocyanate,benzene,2-chloro-1-isothiocyanato-4-nitro,2-chloro-4-nitrobenzenisothiocyanate,acmc-1cg9c,2-chloranyl-1-isothiocyanato-4-nitro-benzene PubChem CID: 2757736 IUPAC Name: 2-chloro-1-isothiocyanato-4-nitrobenzene SMILES: [O-][N+](=O)C1=CC(Cl)=C(C=C1)N=C=S

Pricing and Availability
Specifications

PubChem CID	2757736
CAS	23165-64-2
Molecular Weight (g/mol)	214.62
MDL Number	MFCD00041244
SMILES	[O-][N+](=O)C1=CC(Cl)=C(C=C1)N=C=S
Synonym	2-chloro-4-nitrophenyl isothiocyanate,2-chloro-4-nitrophenylisothiocyanate,benzene,2-chloro-1-isothiocyanato-4-nitro,2-chloro-4-nitrobenzenisothiocyanate,acmc-1cg9c,2-chloranyl-1-isothiocyanato-4-nitro-benzene
IUPAC Name	2-chloro-1-isothiocyanato-4-nitrobenzene
InChI Key	JSYNALWWKRNZDX-UHFFFAOYSA-N
Molecular Formula	C7H3ClN2O2S

Isothiocyanates

Isothiocyanates

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