Cyanomethyl benzenesulfonate

CAS Registry Number®

10531-13-2

CAS Name

Cyanomethyl benzenesulfonate

Molecular Formula

C8H7NO3S

Molecular Mass

197.21

Cite this Page

Cyanomethyl benzenesulfonate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=10531-13-2 (retrieved 2024-11-22) (CAS RN: 10531-13-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    147.5-148 °C @ Press: 1 Torr

  • Melting Point (1)

    32-33 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H7NO3S/c9-6-7-12-13(10,11)8-4-2-1-3-5-8/h1-5H,7H2

InChIKey

InChIKey=SSOVHFPWMPUQOS-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

N#CCOS(=O)(=O)C=1C=CC=CC1

Other Names for this Substance

  • Acetonitrile, 2-[(phenylsulfonyl)oxy]-
  • Glycolonitrile, benzenesulfonate (ester)
  • Acetonitrile, [(phenylsulfonyl)oxy]-
  • Glycolonitrile, benzenesulfonate
  • 2-[(Phenylsulfonyl)oxy]acetonitrile

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration