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 269 results

Thermo Scientific Chemicals 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

Thermo Scientific Chemicals 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

Thermo Scientific Chemicals 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

Thermo Scientific Chemicals 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

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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

Thermo Scientific Chemicals Isopropyl isothiocyanate, 97%

CAS: 2253-73-8 Molecular Formula: C4H7NS Molecular Weight (g/mol): 101.167 MDL Number: MFCD00037830 InChI Key: VHBFEIBMZHEWSX-UHFFFAOYSA-N Synonym: isopropyl isothiocyanate,isothiocyanic acid isopropyl ester,isopropylisothiocyanate,propane, 2-isothiocyanato,unii-46561pkp9t,isopropyl mustard oil,2-isothiocyanato-propane,propan-2-isothiocyanate,ipncs,isopropyl isothiocya PubChem CID: 75263 IUPAC Name: 2-isothiocyanatopropane SMILES: CC(C)N=C=S

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Specifications

PubChem CID	75263
CAS	2253-73-8
Molecular Weight (g/mol)	101.167
MDL Number	MFCD00037830
SMILES	CC(C)N=C=S
Synonym	isopropyl isothiocyanate,isothiocyanic acid isopropyl ester,isopropylisothiocyanate,propane, 2-isothiocyanato,unii-46561pkp9t,isopropyl mustard oil,2-isothiocyanato-propane,propan-2-isothiocyanate,ipncs,isopropyl isothiocya
IUPAC Name	2-isothiocyanatopropane
InChI Key	VHBFEIBMZHEWSX-UHFFFAOYSA-N
Molecular Formula	C4H7NS

Thermo Scientific Chemicals Phenyl isothiocyanate, 98%

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

Thermo Scientific Chemicals 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

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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

Thermo Scientific Chemicals 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

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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

Thermo Scientific Chemicals Benzyl isothiocyanate, 98%

CAS: 622-78-6 Molecular Formula: C₈H₇NS Molecular Weight (g/mol): 149.22 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

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Specifications

PubChem CID	2346
CAS	622-78-6
Molecular Weight (g/mol)	149.22
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

Thermo Scientific Chemicals 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

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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

Thermo Scientific Chemicals 2,3-Dichlorophenyl isothiocyanate, 97%

CAS: 6590-97-2 Molecular Formula: C7H3Cl2NS Molecular Weight (g/mol): 204.07 MDL Number: MFCD00041048 InChI Key: RQZIODPVCCTBAQ-UHFFFAOYSA-N PubChem CID: 2796281 IUPAC Name: 1,2-dichloro-3-isothiocyanatobenzene SMILES: ClC1=CC=CC(N=C=S)=C1Cl

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Specifications

PubChem CID	2796281
CAS	6590-97-2
Molecular Weight (g/mol)	204.07
MDL Number	MFCD00041048
SMILES	ClC1=CC=CC(N=C=S)=C1Cl
IUPAC Name	1,2-dichloro-3-isothiocyanatobenzene
InChI Key	RQZIODPVCCTBAQ-UHFFFAOYSA-N
Molecular Formula	C7H3Cl2NS

Thermo Scientific Chemicals 4-(1H-Pyrazol-1-yl)phenyl isothiocyanate, 97%, Thermo Scientific™

CAS: 352018-96-3 Molecular Formula: C10H7N3S Molecular Weight (g/mol): 201.25 MDL Number: MFCD02681939 InChI Key: GLAOJNMWLIFKCG-UHFFFAOYSA-N Synonym: 4-1h-pyrazol-1-yl phenyl isothiocyanate,1-4-isothiocyanatophenyl pyrazole,4-1h-pyrazol-1-yl phenylisothiocyanate,1h-pyrazole,1-4-isothiocyanatophenyl,1h-pyrazole, 1-4-isothiocyanatophenyl,4-pyrazolylbenzenisothiocyanate,4-1h-pyrazole-1-yl phenyl isothiocyanate PubChem CID: 2776478 IUPAC Name: 1-(4-isothiocyanatophenyl)pyrazole SMILES: S=C=NC1=CC=C(C=C1)N1C=CC=N1

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Specifications

PubChem CID	2776478
CAS	352018-96-3
Molecular Weight (g/mol)	201.25
MDL Number	MFCD02681939
SMILES	S=C=NC1=CC=C(C=C1)N1C=CC=N1
Synonym	4-1h-pyrazol-1-yl phenyl isothiocyanate,1-4-isothiocyanatophenyl pyrazole,4-1h-pyrazol-1-yl phenylisothiocyanate,1h-pyrazole,1-4-isothiocyanatophenyl,1h-pyrazole, 1-4-isothiocyanatophenyl,4-pyrazolylbenzenisothiocyanate,4-1h-pyrazole-1-yl phenyl isothiocyanate
IUPAC Name	1-(4-isothiocyanatophenyl)pyrazole
InChI Key	GLAOJNMWLIFKCG-UHFFFAOYSA-N
Molecular Formula	C10H7N3S

Thermo Scientific Chemicals 3-Cyanophenyl isothiocyanate, 97%

CAS: 3125-78-8 Molecular Formula: C8H4N2S Molecular Weight (g/mol): 160.19 MDL Number: MFCD00041070 InChI Key: UXCYPHCFQAFVFH-UHFFFAOYSA-N Synonym: 3-cyanophenyl isothiocyanate,benzonitrile, 3-isothiocyanato,m-cyanophenyl isothiocyanate,3-cyanophenylisothiocyanate,acmc-1bn6o,benzonitrile,3-isothiocyanato,3-isothiocyanatobenzenecarbonitrile PubChem CID: 76578 IUPAC Name: 3-isothiocyanatobenzonitrile SMILES: S=C=NC1=CC=CC(=C1)C#N

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Specifications

PubChem CID	76578
CAS	3125-78-8
Molecular Weight (g/mol)	160.19
MDL Number	MFCD00041070
SMILES	S=C=NC1=CC=CC(=C1)C#N
Synonym	3-cyanophenyl isothiocyanate,benzonitrile, 3-isothiocyanato,m-cyanophenyl isothiocyanate,3-cyanophenylisothiocyanate,acmc-1bn6o,benzonitrile,3-isothiocyanato,3-isothiocyanatobenzenecarbonitrile
IUPAC Name	3-isothiocyanatobenzonitrile
InChI Key	UXCYPHCFQAFVFH-UHFFFAOYSA-N
Molecular Formula	C8H4N2S

Thermo Scientific Chemicals 4-Ethoxyphenyl isothiocyanate 97%, Thermo Scientific™

CAS: 3460-49-9 Molecular Formula: C9H9NOS Molecular Weight (g/mol): 179.237 InChI Key: REEKOMRZYJXXNR-UHFFFAOYSA-N Synonym: 4-ethoxyphenyl isothiocyanate,4-isothiocyanatophenetol,p-ethoxyphenyl isothiocyanate,1-ethoxy-4-isothiocyanato-benzene,benzene, 1-ethoxy-4-isothiocyanato,4-ethoxyphenylisothiocyanate,4-ethoxybenzenisothiocyanate,acmc-20amjc,pubchem9560,p-ethoxyphenylisothiocyanate PubChem CID: 77006 IUPAC Name: 1-ethoxy-4-isothiocyanatobenzene SMILES: CCOC1=CC=C(C=C1)N=C=S

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Specifications

PubChem CID	77006
CAS	3460-49-9
Molecular Weight (g/mol)	179.237
SMILES	CCOC1=CC=C(C=C1)N=C=S
Synonym	4-ethoxyphenyl isothiocyanate,4-isothiocyanatophenetol,p-ethoxyphenyl isothiocyanate,1-ethoxy-4-isothiocyanato-benzene,benzene, 1-ethoxy-4-isothiocyanato,4-ethoxyphenylisothiocyanate,4-ethoxybenzenisothiocyanate,acmc-20amjc,pubchem9560,p-ethoxyphenylisothiocyanate
IUPAC Name	1-ethoxy-4-isothiocyanatobenzene
InChI Key	REEKOMRZYJXXNR-UHFFFAOYSA-N
Molecular Formula	C9H9NOS

Thermo Scientific Chemicals 2,3-Dichlorophenyl isothiocyanate 97%, Thermo Scientific™

Pricing & Availability
Specifications

PubChem CID	2796281
CAS	6590-97-2
Molecular Weight (g/mol)	204.07
MDL Number	MFCD00041048
SMILES	ClC1=CC=CC(N=C=S)=C1Cl
IUPAC Name	1,2-dichloro-3-isothiocyanatobenzene
InChI Key	RQZIODPVCCTBAQ-UHFFFAOYSA-N
Molecular Formula	C7H3Cl2NS

Isothiocyanates

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