2-[(4-Methylphenyl)sulfonyl]acetonitrile

CAS Registry Number®

5697-44-9

CAS Name

2-[(4-Methylphenyl)sulfonyl]acetonitrile

Molecular Formula

C9H9NO2S

Molecular Mass

195.24

Cite this Page

2-[(4-Methylphenyl)sulfonyl]acetonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5697-44-9 (retrieved 2024-11-22) (CAS RN: 5697-44-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    149.5-150.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H9NO2S/c1-8-2-4-9(5-3-8)13(11,12)7-6-10/h2-5H,7H2,1H3

InChIKey

InChIKey=BBNNLJMGPASZPD-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

N#CCS(=O)(=O)C1=CC=C(C=C1)C

Other Names for this Substance

  • Acetonitrile, 2-[(4-methylphenyl)sulfonyl]-
  • Acetonitrile, (p-tolylsulfonyl)-
  • Acetonitrile, [(4-methylphenyl)sulfonyl]-
  • 2-[(4-Methylphenyl)sulfonyl]acetonitrile
  • 4-Tolylsulfoacetonitrile

View All

CAS INSIGHTSTM
Hourglass and a clock