3-Isothiocyanatobenzonitrile

CAS Registry Number®

3125-78-8

CAS Name

3-Isothiocyanatobenzonitrile

Molecular Formula

C8H4N2S

Molecular Mass

160.20

Cite this Page

3-Isothiocyanatobenzonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3125-78-8 (retrieved 2024-11-21) (CAS RN: 3125-78-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C8H4N2S/c9-5-7-2-1-3-8(4-7)10-6-11/h1-4H

InChIKey

InChIKey=UXCYPHCFQAFVFH-UHFFFAOYSA-N

SMILES

N(=C=S)C1=CC(C#N)=CC=C1

Canonical SMILES

N#CC1=CC=CC(N=C=S)=C1

Other Names for this Substance

  • Benzonitrile, 3-isothiocyanato-
  • Isothiocyanic acid, m-cyanophenyl ester
  • 3-Isothiocyanatobenzonitrile
  • m-Cyanophenyl isothiocyanate
  • 3-Cyanophenyl isothiocyanate

CAS INSIGHTSTM
Targeted protein degrader structure, illustration