3-Cyanophenyl isothiocyanate

cas: 3125-78-8 — see every product listed under this CAS number, including other names

3-Cyanophenyl isothiocyanate (CAS 3125-78-8) is a chemical reagent available from Chemat. Available pack sizes: 1g, 5g. Offered by: Fluorochem.

• 2D
• 3D

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 formula	C8H4N2S
Molecular weight	160.20 g/mol
IUPAC name	3-isothiocyanatobenzonitrile
InChIKey	UXCYPHCFQAFVFH-UHFFFAOYSA-N
SMILES	C1=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