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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 108 results
1

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

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
2

1-Octyl isothiocyanate, 97%

CAS: 4430-45-9 Molecular Formula: C9H17NS Molecular Weight (g/mol): 171.30 MDL Number: MFCD00041139 InChI Key: YEZHGQZHWKJPCM-UHFFFAOYSA-N Synonym: octyl isothiocyanate,n-octyl isothiocyanate,octylisothiocyanate,1-octyl isothiocyanate,octanisothiocyanate,1-isothiocyanatooctan,octane, 1-isothiocyanato,isothiocyanic acid, octyl ester,n-octylisothiocyanate,acmc-1ajcy PubChem CID: 78161 IUPAC Name: 1-isothiocyanatooctane SMILES: CCCCCCCCN=C=S

PubChem CID 78161
CAS 4430-45-9
Molecular Weight (g/mol) 171.30
MDL Number MFCD00041139
SMILES CCCCCCCCN=C=S
Synonym octyl isothiocyanate,n-octyl isothiocyanate,octylisothiocyanate,1-octyl isothiocyanate,octanisothiocyanate,1-isothiocyanatooctan,octane, 1-isothiocyanato,isothiocyanic acid, octyl ester,n-octylisothiocyanate,acmc-1ajcy
IUPAC Name 1-isothiocyanatooctane
InChI Key YEZHGQZHWKJPCM-UHFFFAOYSA-N
Molecular Formula C9H17NS
3

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
4

1-Hexyl isothiocyanate, 97%

CAS: 4404-45-9 Molecular Formula: C7H13NS Molecular Weight (g/mol): 143.248 MDL Number: MFCD00014445 InChI Key: WXYAXKKXIGHXDS-UHFFFAOYSA-N Synonym: hexyl isothiocyanate,n-hexyl isothiocyanate,hexane, 1-isothiocyanato,1-hexyl isothiocyanate,hexylisothiocyanate,isothiocyanic acid, hexyl ester,unii-2s7c3ga0z5,1-hexylisothiocyanate,1-isothiocyanato-hexane,hexanisothiocyanate PubChem CID: 78120 IUPAC Name: 1-isothiocyanatohexane SMILES: CCCCCCN=C=S

PubChem CID 78120
CAS 4404-45-9
Molecular Weight (g/mol) 143.248
MDL Number MFCD00014445
SMILES CCCCCCN=C=S
Synonym hexyl isothiocyanate,n-hexyl isothiocyanate,hexane, 1-isothiocyanato,1-hexyl isothiocyanate,hexylisothiocyanate,isothiocyanic acid, hexyl ester,unii-2s7c3ga0z5,1-hexylisothiocyanate,1-isothiocyanato-hexane,hexanisothiocyanate
IUPAC Name 1-isothiocyanatohexane
InChI Key WXYAXKKXIGHXDS-UHFFFAOYSA-N
Molecular Formula C7H13NS
5

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
6

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
7

1-Naphthyl Isothiocyanate 98.0+%, TCI America™

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
8

4-Dimethylamino-1-naphthyl Isothiocyanate 98.0+%, TCI America™

CAS: 29711-79-3 Molecular Formula: C13H12N2S Molecular Weight (g/mol): 228.31 MDL Number: MFCD00003883 InChI Key: SMZHGTXTWIAKGS-UHFFFAOYSA-N Synonym: 4-dimethylamino-1-naphthylisothiocyanate,4-dimethylamino-1-naphthyl isothiocyanate,danito,4-n,n-dimethylamino-1-naphthylisothiocyanate,n-4-isothiocyanato-1-naphthyl-n,n-dimethylamine,4-isothiocyanato-n,n-dimethyl-1-naphthalenamine,4-dimethylamino naphthalenisothiocyanate,acmc-209umu,4-dimethylamino-1-naphthyl 1sothiocyanate PubChem CID: 122465 IUPAC Name: 4-isothiocyanato-N,N-dimethylnaphthalen-1-amine SMILES: CN(C)C1=C2C=CC=CC2=C(C=C1)N=C=S

PubChem CID 122465
CAS 29711-79-3
Molecular Weight (g/mol) 228.31
MDL Number MFCD00003883
SMILES CN(C)C1=C2C=CC=CC2=C(C=C1)N=C=S
Synonym 4-dimethylamino-1-naphthylisothiocyanate,4-dimethylamino-1-naphthyl isothiocyanate,danito,4-n,n-dimethylamino-1-naphthylisothiocyanate,n-4-isothiocyanato-1-naphthyl-n,n-dimethylamine,4-isothiocyanato-n,n-dimethyl-1-naphthalenamine,4-dimethylamino naphthalenisothiocyanate,acmc-209umu,4-dimethylamino-1-naphthyl 1sothiocyanate
IUPAC Name 4-isothiocyanato-N,N-dimethylnaphthalen-1-amine
InChI Key SMZHGTXTWIAKGS-UHFFFAOYSA-N
Molecular Formula C13H12N2S
9

4-Penten-1-yl Isothiocyanate 95.0+%, TCI America™

CAS: 18060-79-2 Molecular Formula: C6H9NS Molecular Weight (g/mol): 127.21 MDL Number: MFCD00191527 InChI Key: DBISBKDNOKIADM-UHFFFAOYSA-N Synonym: Isothiocyanic Acid 4-Penten-1-yl Ester PubChem CID: 87436 IUPAC Name: 5-isothiocyanatopent-1-ene SMILES: C=CCCCN=C=S

PubChem CID 87436
CAS 18060-79-2
Molecular Weight (g/mol) 127.21
MDL Number MFCD00191527
SMILES C=CCCCN=C=S
Synonym Isothiocyanic Acid 4-Penten-1-yl Ester
IUPAC Name 5-isothiocyanatopent-1-ene
InChI Key DBISBKDNOKIADM-UHFFFAOYSA-N
Molecular Formula C6H9NS
10

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

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
11

1-Adamantyl Isothiocyanate, TCI America™

CAS: 4411-26-1 Molecular Formula: C11H15NS Molecular Weight (g/mol): 193.308 MDL Number: MFCD00074736 InChI Key: YPKFLUARLJRPQM-UHFFFAOYSA-N Synonym: 1-adamantyl isothiocyanate,isothiocyanic acid 1-adamantyl ester,1-adamantylisothiocyanate,1-isothiocyanato-adamantane,tricyclo 3.3.1.1'3,7 dec-1-yl isocyanate,tricyclo 3.3.1.13,7 decane, 1-isothiocyanato,adamantanisothiocyanate,3r,5s,7s-1-isothiocyanatoadamantane,1-isothiocyanatotricyclo 3.3.1.1∼3,7∼ decane,tricyclo 3.3.1.1 3,7 decane, 1-isothiocyanato PubChem CID: 107279 IUPAC Name: 1-isothiocyanatoadamantane SMILES: C1C2CC3CC1CC(C2)(C3)N=C=S

PubChem CID 107279
CAS 4411-26-1
Molecular Weight (g/mol) 193.308
MDL Number MFCD00074736
SMILES C1C2CC3CC1CC(C2)(C3)N=C=S
Synonym 1-adamantyl isothiocyanate,isothiocyanic acid 1-adamantyl ester,1-adamantylisothiocyanate,1-isothiocyanato-adamantane,tricyclo 3.3.1.1'3,7 dec-1-yl isocyanate,tricyclo 3.3.1.13,7 decane, 1-isothiocyanato,adamantanisothiocyanate,3r,5s,7s-1-isothiocyanatoadamantane,1-isothiocyanatotricyclo 3.3.1.1∼3,7∼ decane,tricyclo 3.3.1.1 3,7 decane, 1-isothiocyanato
IUPAC Name 1-isothiocyanatoadamantane
InChI Key YPKFLUARLJRPQM-UHFFFAOYSA-N
Molecular Formula C11H15NS
12

3-Buten-1-yl Isothiocyanate 96.0+%, TCI America™

CAS: 3386-97-8 Molecular Formula: C5H7NS Molecular Weight (g/mol): 113.178 MDL Number: MFCD00191660 InChI Key: SKIHGKNFJKJXPX-UHFFFAOYSA-N Synonym: Isothiocyanic Acid 3-Buten-1-yl Ester PubChem CID: 76922 IUPAC Name: 4-isothiocyanatobut-1-ene SMILES: C=CCCN=C=S

PubChem CID 76922
CAS 3386-97-8
Molecular Weight (g/mol) 113.178
MDL Number MFCD00191660
SMILES C=CCCN=C=S
Synonym Isothiocyanic Acid 3-Buten-1-yl Ester
IUPAC Name 4-isothiocyanatobut-1-ene
InChI Key SKIHGKNFJKJXPX-UHFFFAOYSA-N
Molecular Formula C5H7NS
14

Sigma Aldrich 1-Naphthyl isothiocyanate

MilliporeSigma Sigma Organics products encompass a wide range of quality reagents, solvents, catalysts, and building blocks for organic synthesis. From benchtop discovery to process development and scale-up, Sigma Organics solutions are built to meet the needs of synthetic chemists.

ENCOMPASS ENCOMPASS_PREFERRED
CAS 551-06-4
15

Sigma Aldrich 2-Pyrrolidin-1-ylmethyl-acrylic acid

MilliporeSigma Sigma Organics products encompass a wide range of quality reagents, solvents, catalysts, and building blocks for organic synthesis. From benchtop discovery to process development and scale-up, Sigma Organics solutions are built to meet the needs of synthetic chemists.

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