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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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Physical Form 
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Molecular Weight (g/mol)

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Percent Purity

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Grade

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1 – 15 of 124 results
1

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

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

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
3

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

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
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

tert-Butyl isothiocyanate, 97%

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

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
6

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

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
7

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

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
8

Ethyl isothiocyanate, 97%

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

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
10

Ethyl 3-isothiocyanatopropionate, 97%

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

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
11

o-Tolyl isothiocyanate, 98%

CAS: 614-69-7 Molecular Formula: C8H7NS Molecular Weight (g/mol): 149.211 MDL Number: MFCD00004802 InChI Key: JYKYYPPZLPVIBY-UHFFFAOYSA-N Synonym: 2-methylphenyl isothiocyanate,o-tolyl isothiocyanate,2-tolyl isothiocyanate,o-tolylisothiocyanate,benzene, 1-isothiocyanato-2-methyl,1-isothiocyanato-2-methyl-benzene,2-methylphenylisothiocyanate,isothiocyanic acid o-tolyl ester,isothiocyanic acid, o-tolyl ester,2-methylbenzenisothiocyanate PubChem CID: 69195 IUPAC Name: 1-isothiocyanato-2-methylbenzene SMILES: CC1=CC=CC=C1N=C=S

PubChem CID 69195
CAS 614-69-7
Molecular Weight (g/mol) 149.211
MDL Number MFCD00004802
SMILES CC1=CC=CC=C1N=C=S
Synonym 2-methylphenyl isothiocyanate,o-tolyl isothiocyanate,2-tolyl isothiocyanate,o-tolylisothiocyanate,benzene, 1-isothiocyanato-2-methyl,1-isothiocyanato-2-methyl-benzene,2-methylphenylisothiocyanate,isothiocyanic acid o-tolyl ester,isothiocyanic acid, o-tolyl ester,2-methylbenzenisothiocyanate
IUPAC Name 1-isothiocyanato-2-methylbenzene
InChI Key JYKYYPPZLPVIBY-UHFFFAOYSA-N
Molecular Formula C8H7NS
12

2,5-dichlorophenyl isothiocyanate, Thermo Scientific™

CAS: 3386-42-3 Molecular Formula: C7H3Cl2NS Molecular Weight (g/mol): 204.068 InChI Key: JHTPBGFVWWSHDL-UHFFFAOYSA-N Synonym: 2,5-dichlorophenyl isothiocyanate,2,5-dichlorophenylisothiocyanate,acmc-1cjox,2,5-dichlorobenzenisothiocyanate,#,benzene,1,4-dichloro-2-isothiocyanato,benzene, 1,4-dichloro-2-isothiocyanato,1,4-bis chloranyl-2-isothiocyanato-benzene PubChem CID: 137915 IUPAC Name: 1,4-dichloro-2-isothiocyanatobenzene SMILES: C1=CC(=C(C=C1Cl)N=C=S)Cl

PubChem CID 137915
CAS 3386-42-3
Molecular Weight (g/mol) 204.068
SMILES C1=CC(=C(C=C1Cl)N=C=S)Cl
Synonym 2,5-dichlorophenyl isothiocyanate,2,5-dichlorophenylisothiocyanate,acmc-1cjox,2,5-dichlorobenzenisothiocyanate,#,benzene,1,4-dichloro-2-isothiocyanato,benzene, 1,4-dichloro-2-isothiocyanato,1,4-bis chloranyl-2-isothiocyanato-benzene
IUPAC Name 1,4-dichloro-2-isothiocyanatobenzene
InChI Key JHTPBGFVWWSHDL-UHFFFAOYSA-N
Molecular Formula C7H3Cl2NS
13

4-Ethylphenyl isothiocyanate, 97%, Thermo Scientific Chemicals

CAS: 18856-63-8 Molecular Formula: C9H9NS Molecular Weight (g/mol): 163.24 MDL Number: MFCD00041101 InChI Key: XXLWCGRHJFEMQH-UHFFFAOYSA-N Synonym: 4-ethylphenyl isothiocyanate,1-ethyl-4-isothiocyanato-benzene,benzene,1-ethyl-4-isothiocyanato,4-ethylbenzenisothiocyanate,acmc-20amit,2-p-isothio-cyanatophenyl ethane,# PubChem CID: 140438 IUPAC Name: 1-ethyl-4-isothiocyanatobenzene SMILES: CCC1=CC=C(C=C1)N=C=S

PubChem CID 140438
CAS 18856-63-8
Molecular Weight (g/mol) 163.24
MDL Number MFCD00041101
SMILES CCC1=CC=C(C=C1)N=C=S
Synonym 4-ethylphenyl isothiocyanate,1-ethyl-4-isothiocyanato-benzene,benzene,1-ethyl-4-isothiocyanato,4-ethylbenzenisothiocyanate,acmc-20amit,2-p-isothio-cyanatophenyl ethane,#
IUPAC Name 1-ethyl-4-isothiocyanatobenzene
InChI Key XXLWCGRHJFEMQH-UHFFFAOYSA-N
Molecular Formula C9H9NS
14

p-Tolyl isothiocyanate, 97%

CAS: 622-59-3 Molecular Formula: C8H7NS Molecular Weight (g/mol): 149.211 MDL Number: MFCD00004813 InChI Key: ABQKHKWXTUVKGF-UHFFFAOYSA-N Synonym: p-tolyl isothiocyanate,4-methylphenyl isothiocyanate,4-methylphenylisothiocyanate,p-tolylisothiocyanate,4-tolylisothiocyanate,benzene, 1-isothiocyanato-4-methyl,4-tolyl isothiocyanate,isothiocyanic acid, p-tolyl ester,1-isothiocyanato-4-methyl-benzene,isothiocyanic acid, 4-tolyl ester PubChem CID: 12149 IUPAC Name: 1-isothiocyanato-4-methylbenzene SMILES: CC1=CC=C(C=C1)N=C=S

PubChem CID 12149
CAS 622-59-3
Molecular Weight (g/mol) 149.211
MDL Number MFCD00004813
SMILES CC1=CC=C(C=C1)N=C=S
Synonym p-tolyl isothiocyanate,4-methylphenyl isothiocyanate,4-methylphenylisothiocyanate,p-tolylisothiocyanate,4-tolylisothiocyanate,benzene, 1-isothiocyanato-4-methyl,4-tolyl isothiocyanate,isothiocyanic acid, p-tolyl ester,1-isothiocyanato-4-methyl-benzene,isothiocyanic acid, 4-tolyl ester
IUPAC Name 1-isothiocyanato-4-methylbenzene
InChI Key ABQKHKWXTUVKGF-UHFFFAOYSA-N
Molecular Formula C8H7NS
15

Methyle3-isothiocyanatothiophene-2-carboxylate, 97%, Thermo Scientific™

CAS: 81321-10-0 Molecular Formula: C7H5NO2S2 Molecular Weight (g/mol): 199.24 MDL Number: MFCD00052589 InChI Key: RKBLURUDWDTMOB-UHFFFAOYSA-N Synonym: methyl 3-isothiocyanato-2-thiophenecarboxylate,3-isothiocyanato-2-thiophenecarboxylic acid methyl ester,2-thiophenecarboxylicacid, 3-isothiocyanato-, methyl ester,methyl 3-isoisothiocyanatothiophene-2-carboxylate PubChem CID: 2777461 IUPAC Name: methyl 3-isothiocyanatothiophene-2-carboxylate SMILES: COC(=O)C1=C(C=CS1)N=C=S

PubChem CID 2777461
CAS 81321-10-0
Molecular Weight (g/mol) 199.24
MDL Number MFCD00052589
SMILES COC(=O)C1=C(C=CS1)N=C=S
Synonym methyl 3-isothiocyanato-2-thiophenecarboxylate,3-isothiocyanato-2-thiophenecarboxylic acid methyl ester,2-thiophenecarboxylicacid, 3-isothiocyanato-, methyl ester,methyl 3-isoisothiocyanatothiophene-2-carboxylate
IUPAC Name methyl 3-isothiocyanatothiophene-2-carboxylate
InChI Key RKBLURUDWDTMOB-UHFFFAOYSA-N
Molecular Formula C7H5NO2S2