Products 3125-78-8

CAS 3125-78-8 appears in our catalog under these names: 3-Cyanophenyl isothiocyanate, 95%, 3-Cyanophenyl isothiocyanate, 97% , 3-Cyanophenylisothiocyanate 97%, 3-Cyanophenyl isothiocyanate, 99%. Offered by: Combi-blocks, Thermo Scientific (Alfa Aesar), Ambeed, Fluorochem. Available pack sizes: 1g, 5g, 100mg, 250mg.

3-Cyanophenyl isothiocyanate, 95%
Combi-blocks
  • size: 1g, 5g
  • Variants: 2
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3-Cyanophenyl isothiocyanate, 97%
Thermo Scientific (Alfa Aesar)
  • size: 1g, 5g
  • Variants: 2
from 245.89
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3-Cyanophenylisothiocyanate 97%
Ambeed
  • size: 100mg, 250mg, 1g
  • Variants: 3
from 209.06
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3-Cyanophenyl isothiocyanate, 99%
Fluorochem
  • size: 1g, 5g
  • Variants: 2
from 237.43
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Structural formula: {0} (CAS {1})

3-isothiocyanatobenzonitrile (CAS 3125-78-8) is a chemical compound with the molecular formula C8H4N2S and a molecular weight of 160.20 g/mol. IUPAC name: 3-isothiocyanatobenzonitrile. InChIKey: UXCYPHCFQAFVFH-UHFFFAOYSA-N.

Identity
Molecular formulaC8H4N2S
Molecular weight160.20 g/mol
IUPAC name3-isothiocyanatobenzonitrile
InChIKeyUXCYPHCFQAFVFH-UHFFFAOYSA-N
SMILESC1=CC(=CC(=C1)N=C=S)C#N

Computed by PubChem (NCBI)

Synonyms: 3-Cyanophenyl isothiocyanate, 3-isothiocyanatobenzonitrile, 3-CYANOPHENylisoTHIOCYANATE, Benzonitrile, 3-isothiocyanato-, m-Cyanophenyl isothiocyanate, 3-isothiocyanatobenzenecarbonitrile, UXCYPHCFQAFVFH-UHFFFAOYSA-N, 3-Cyanophenyl isothiocyanate, 98%
Isomers (same molecular formula)
thieno[2,3-b]pyridine-2-carbonitrile C8H4N2S
2-isothiocyanatobenzonitrile C8H4N2S
4-isothiocyanatobenzonitrile C8H4N2S
1,3-benzothiazole-2-carbonitrile C8H4N2S
1,3-benzothiazole-6-carbonitrile C8H4N2S
thieno[2,3-b]pyridine-5-carbonitrile C8H4N2S
2-(thiophen-2-ylmethylidene)propanedinitrile C8H4N2S
thieno[3,2-b]pyridine-6-carbonitrile C8H4N2S
4-ethynyl-2,1,3-benzothiadiazole C8H4N2S
thieno[3,2-b]pyridine-5-carbonitrile C8H4N2S
1,3-benzothiazole-5-carbonitrile C8H4N2S