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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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1 – 15 of 84 results
1
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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

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
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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

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
3
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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

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
4
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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

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
5
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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

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
6
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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
7
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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

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
8
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3-(Methylthio)propyl isothiocyanate, 98%, Thermo Scientific Chemicals

CAS: 505-79-3 Molecular Formula: C5H9NS2 Molecular Weight (g/mol): 147.254 MDL Number: MFCD00209521 InChI Key: LDKSCZJUIURGMW-UHFFFAOYSA-N Synonym: 3-methylthio propyl isothiocyanate,iberverin,3-methylthiopropyl isothiocyanate,ibervirin,propane, 1-isothiocyanato-3-methylthio,unii-ytt13bn94z,3-methylmercaptopropyl isothiocyanate,isothiocyanic acid, 3-methylthio propyl ester,1-isothiocyanato-3-methylthio propane,fema no. 3312 PubChem CID: 62351 IUPAC Name: 1-isothiocyanato-3-methylsulfanylpropane SMILES: CSCCCN=C=S

PubChem CID 62351
CAS 505-79-3
Molecular Weight (g/mol) 147.254
MDL Number MFCD00209521
SMILES CSCCCN=C=S
Synonym 3-methylthio propyl isothiocyanate,iberverin,3-methylthiopropyl isothiocyanate,ibervirin,propane, 1-isothiocyanato-3-methylthio,unii-ytt13bn94z,3-methylmercaptopropyl isothiocyanate,isothiocyanic acid, 3-methylthio propyl ester,1-isothiocyanato-3-methylthio propane,fema no. 3312
IUPAC Name 1-isothiocyanato-3-methylsulfanylpropane
InChI Key LDKSCZJUIURGMW-UHFFFAOYSA-N
Molecular Formula C5H9NS2
9
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3-Benzyloxyphenyl isothiocyanate, 97%

CAS: 206559-36-6 Molecular Formula: C14H11NOS Molecular Weight (g/mol): 241.31 MDL Number: MFCD00060374 InChI Key: QJLFNDXMZQJMDL-UHFFFAOYSA-N Synonym: 3-benzyloxyphenyl isothiocyanate,3-benzyloxyphenylisothiocyanate,1-benzyloxy-3-isothiocyanatobenzene,acmc-20an9f,3-phenylmethoxy benzenisothiocyanate,1-benzyloxy-3-isothiocyanatobenzene #,1-isothiocyanato-3-phenylmethoxy-benzene,benzene, 1-isothiocyanato-3-phenylmethoxy,benzene, 1-isothiocyanato-3-phenylmethoxy-9ci PubChem CID: 561446 IUPAC Name: 1-isothiocyanato-3-phenylmethoxybenzene SMILES: S=C=NC1=CC(OCC2=CC=CC=C2)=CC=C1

PubChem CID 561446
CAS 206559-36-6
Molecular Weight (g/mol) 241.31
MDL Number MFCD00060374
SMILES S=C=NC1=CC(OCC2=CC=CC=C2)=CC=C1
Synonym 3-benzyloxyphenyl isothiocyanate,3-benzyloxyphenylisothiocyanate,1-benzyloxy-3-isothiocyanatobenzene,acmc-20an9f,3-phenylmethoxy benzenisothiocyanate,1-benzyloxy-3-isothiocyanatobenzene #,1-isothiocyanato-3-phenylmethoxy-benzene,benzene, 1-isothiocyanato-3-phenylmethoxy,benzene, 1-isothiocyanato-3-phenylmethoxy-9ci
IUPAC Name 1-isothiocyanato-3-phenylmethoxybenzene
InChI Key QJLFNDXMZQJMDL-UHFFFAOYSA-N
Molecular Formula C14H11NOS
10
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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

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
11
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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

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
12
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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
13
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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
14
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Isobutyl isothiocyanate, 97%

CAS: 591-82-2 Molecular Formula: C5H9NS Molecular Weight (g/mol): 115.194 MDL Number: MFCD00022062 InChI Key: NSDDRJXKROCWRZ-UHFFFAOYSA-N Synonym: isobutyl isothiocyanate,i-butyl isothiocyanate,isobutylisothiocyanate,2-methylpropyl isothiocyanate,isothiocyanic acid, isobutyl ester,1-isothiocyanato-2-methyl-propane,unii-a498zc6z4f,isothiocyanic acid isobutyl ester,propane, 1-isothiocyanato-2-methyl,propane, 1-isothiocyanato-2-methyl-9ci PubChem CID: 68960 IUPAC Name: 1-isothiocyanato-2-methylpropane SMILES: CC(C)CN=C=S

PubChem CID 68960
CAS 591-82-2
Molecular Weight (g/mol) 115.194
MDL Number MFCD00022062
SMILES CC(C)CN=C=S
Synonym isobutyl isothiocyanate,i-butyl isothiocyanate,isobutylisothiocyanate,2-methylpropyl isothiocyanate,isothiocyanic acid, isobutyl ester,1-isothiocyanato-2-methyl-propane,unii-a498zc6z4f,isothiocyanic acid isobutyl ester,propane, 1-isothiocyanato-2-methyl,propane, 1-isothiocyanato-2-methyl-9ci
IUPAC Name 1-isothiocyanato-2-methylpropane
InChI Key NSDDRJXKROCWRZ-UHFFFAOYSA-N
Molecular Formula C5H9NS
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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

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