p-Toluenesulfonyl isocyanate

CAS Registry Number®

4083-64-1

CAS Name

p-Toluenesulfonyl isocyanate

Molecular Formula

C8H7NO3S

Molecular Mass

197.21

Cite this Page

p-Toluenesulfonyl isocyanate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4083-64-1 (retrieved 2024-11-21) (CAS RN: 4083-64-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    114-116 °C @ Press: 0.3-0.5 Torr

  • Melting Point (2)

    188-189 °C

  • Density (3)

    3.877 g/cm³ @ Temp: 827 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H7NO3S/c1-7-2-4-8(5-3-7)13(11,12)9-6-10/h2-5H,1H3

InChIKey

InChIKey=VLJQDHDVZJXNQL-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C=NS(=O)(=O)C1=CC=C(C=C1)C

Other Names for this Substance

  • Benzenesulfonyl isocyanate, 4-methyl-
  • p-Toluenesulfonic acid, anhydride with isocyanic acid
  • Isocyanic acid, anhydride with p-toluenesulfonic acid
  • 4-Methylbenzenesulfonyl isocyanate
  • p-Toluenesulfonyl isocyanate

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Deleted or Replaced CAS Registry Numbers

102086-99-7

CAS INSIGHTSTM
Targeted protein degrader structure, illustration