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 311 results

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

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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, 97%

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

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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

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

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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

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

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

Pricing & 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

2-Methoxyethyl isothiocyanate, 98+%

CAS: 38663-85-3 Molecular Formula: C4H7NOS Molecular Weight (g/mol): 117.166 MDL Number: MFCD00041126 InChI Key: HTSAVXAFEVUJQE-UHFFFAOYSA-N Synonym: 2-methoxyethyl isothiocyanate,ethane, 1-isothiocyanato-2-methoxy,2-methoxyethylisothiocyanate,1-isothiocyanato-2-methoxy-ethane,1-isothiocyanato-2-methoxyethane,2-methoxyethanisothiocyanate,acmc-1aezw,2-methoxy ethyl isothiocyanate,#,ethane,1-isothiocyanato-2-methoxy PubChem CID: 123475 IUPAC Name: 1-isothiocyanato-2-methoxyethane SMILES: COCCN=C=S

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Specifications

PubChem CID	123475
CAS	38663-85-3
Molecular Weight (g/mol)	117.166
MDL Number	MFCD00041126
SMILES	COCCN=C=S
Synonym	2-methoxyethyl isothiocyanate,ethane, 1-isothiocyanato-2-methoxy,2-methoxyethylisothiocyanate,1-isothiocyanato-2-methoxy-ethane,1-isothiocyanato-2-methoxyethane,2-methoxyethanisothiocyanate,acmc-1aezw,2-methoxy ethyl isothiocyanate,#,ethane,1-isothiocyanato-2-methoxy
IUPAC Name	1-isothiocyanato-2-methoxyethane
InChI Key	HTSAVXAFEVUJQE-UHFFFAOYSA-N
Molecular Formula	C4H7NOS

4-Methoxybenzyl isothiocyanate, 94%

CAS: 3694-57-3 Molecular Formula: C9H9NOS Molecular Weight (g/mol): 179.237 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

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Specifications

PubChem CID	123197
CAS	3694-57-3
Molecular Weight (g/mol)	179.237
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

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

1,4-Butane diisothiocyanate, 98%

CAS: 4430-51-7 Molecular Formula: C6H8N2S2 Molecular Weight (g/mol): 172.264 MDL Number: MFCD00041136 InChI Key: RRSISCMPUAGVJN-UHFFFAOYSA-N Synonym: 1,4-butane diisothiocyanate,butane, 1,4-diisothiocyanato,tetramethylene diisothiocyanate,# PubChem CID: 138238 IUPAC Name: 1,4-diisothiocyanatobutane SMILES: C(CCN=C=S)CN=C=S

Pricing & Availability
Specifications

PubChem CID	138238
CAS	4430-51-7
Molecular Weight (g/mol)	172.264
MDL Number	MFCD00041136
SMILES	C(CCN=C=S)CN=C=S
Synonym	1,4-butane diisothiocyanate,butane, 1,4-diisothiocyanato,tetramethylene diisothiocyanate,#
IUPAC Name	1,4-diisothiocyanatobutane
InChI Key	RRSISCMPUAGVJN-UHFFFAOYSA-N
Molecular Formula	C6H8N2S2

4-Methylbenzyl isothiocyanate, 96%

CAS: 3694-46-0 Molecular Formula: C9H9NS Molecular Weight (g/mol): 163.238 MDL Number: MFCD00041118 InChI Key: OAXIUBJXQISJEV-UHFFFAOYSA-N Synonym: 4-methylbenzyl isothiocyanate,1-isothiocyanatomethyl-4-methylbenzene,p-methylbenzyl isothiocyanate,benzene, 1-isothiocyanatomethyl-4-methyl,isothiocyanic acid, p-methylbenzyl ester,benzene, 1-isothiocyanatomethyl-4-methyl-9ci,acmc-1cobu,4-methylbenzylisothiocyanate,wln: scn1r d1,4-12-00-02578 beilstein handbook reference PubChem CID: 19409 IUPAC Name: 1-(isothiocyanatomethyl)-4-methylbenzene SMILES: CC1=CC=C(C=C1)CN=C=S

Pricing & Availability
Specifications

PubChem CID	19409
CAS	3694-46-0
Molecular Weight (g/mol)	163.238
MDL Number	MFCD00041118
SMILES	CC1=CC=C(C=C1)CN=C=S
Synonym	4-methylbenzyl isothiocyanate,1-isothiocyanatomethyl-4-methylbenzene,p-methylbenzyl isothiocyanate,benzene, 1-isothiocyanatomethyl-4-methyl,isothiocyanic acid, p-methylbenzyl ester,benzene, 1-isothiocyanatomethyl-4-methyl-9ci,acmc-1cobu,4-methylbenzylisothiocyanate,wln: scn1r d1,4-12-00-02578 beilstein handbook reference
IUPAC Name	1-(isothiocyanatomethyl)-4-methylbenzene
InChI Key	OAXIUBJXQISJEV-UHFFFAOYSA-N
Molecular Formula	C9H9NS

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

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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

Cyclopropyl isothiocyanate, 97%

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

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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

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

2-(4-Morpholinyl)ethyl isothiocyanate, 97%, Thermo Scientific Chemicals

CAS: 63224-35-1 Molecular Formula: C7H12N2OS Molecular Weight (g/mol): 172.25 MDL Number: MFCD00041221 InChI Key: SDNSCXCXVQHBGH-UHFFFAOYSA-N Synonym: 2-morpholinoethyl isothiocyanate,4-2-isothiocyanatoethyl morpholine,2-4-morpholino ethyl isothiocyanate,2-morpholinoethylisothiocyanate,4-2-isothiocyanato-ethyl-morpholine,2-morpholin-4-ylethanisothiocyanate,2-4-morpholinyl ethyl isothiocyanate,4-2-isothiocyanatoethyl morpholine # PubChem CID: 143957 IUPAC Name: 4-(2-isothiocyanatoethyl)morpholine SMILES: S=C=NCCN1CCOCC1

Pricing & Availability
Specifications

PubChem CID	143957
CAS	63224-35-1
Molecular Weight (g/mol)	172.25
MDL Number	MFCD00041221
SMILES	S=C=NCCN1CCOCC1
Synonym	2-morpholinoethyl isothiocyanate,4-2-isothiocyanatoethyl morpholine,2-4-morpholino ethyl isothiocyanate,2-morpholinoethylisothiocyanate,4-2-isothiocyanato-ethyl-morpholine,2-morpholin-4-ylethanisothiocyanate,2-4-morpholinyl ethyl isothiocyanate,4-2-isothiocyanatoethyl morpholine #
IUPAC Name	4-(2-isothiocyanatoethyl)morpholine
InChI Key	SDNSCXCXVQHBGH-UHFFFAOYSA-N
Molecular Formula	C7H12N2OS

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

Pricing & Availability
Specifications

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

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Isothiocyanates

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