Propanedinitrile, 2-amino-, 4-methylbenzenesulfonate (1:1)

CAS Registry Number®

5098-14-6

CAS Name

Propanedinitrile, 2-amino-, 4-methylbenzenesulfonate (1:1)

Molecular Formula

C7H8O3S.C3H3N3

Cite this Page

Propanedinitrile, 2-amino-, 4-methylbenzenesulfonate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5098-14-6 (retrieved 2024-11-22) (CAS RN: 5098-14-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    180-181 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C7H8O3S.C3H3N3/c1-6-2-4-7(5-3-6)11(8,9)10;4-1-3(6)2-5/h2-5H,1H3,(H,8,9,10);3H,6H2

InChIKey

InChIKey=MEUWQVWJLLBVQI-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Propanedinitrile, 2-amino-, 4-methylbenzenesulfonate (1:1)
  • Malononitrile, amino-, p-toluenesulfonate
  • Propanedinitrile, amino-, mono(4-methylbenzenesulfonate)
  • Aminomalononitrile tosylate
  • Aminomalonitrile tosylate

View All

Deleted or Replaced CAS Registry Numbers

42770-06-9, 50627-64-0, 3034177-17-5

CAS INSIGHTSTM
Targeted protein degrader structure, illustration