4-(Phenylthio)-1,2-benzenedicarbonitrile

CAS Registry Number®

77474-63-6

CAS Name

4-(Phenylthio)-1,2-benzenedicarbonitrile

Molecular Formula

C14H8N2S

Molecular Mass

236.29

Cite this Page

4-(Phenylthio)-1,2-benzenedicarbonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=77474-63-6 (retrieved 2025-01-21) (CAS RN: 77474-63-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    167-168 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C14H8N2S/c15-9-11-6-7-14(8-12(11)10-16)17-13-4-2-1-3-5-13/h1-8H

InChIKey

InChIKey=DONGQQAAIOHUPL-UHFFFAOYSA-N

SMILES

S(C1=CC(C#N)=C(C#N)C=C1)C2=CC=CC=C2

Canonical SMILES

N#CC1=CC=C(SC=2C=CC=CC2)C=C1C#N

Other Names for this Substance

  • 1,2-Benzenedicarbonitrile, 4-(phenylthio)-
  • 4-(Phenylthio)-1,2-benzenedicarbonitrile
  • 4-(Phenylthio)phthalonitrile
  • NSC 646246
  • 4-(Phenylsulfanyl)benzene-1,2-dicarbonitrile

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