5-Methyl-3-(methylsulfonyl)-4-isothiazolecarbonitrile

CAS Registry Number®

82000-51-9
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CAS Name

5-Methyl-3-(methylsulfonyl)-4-isothiazolecarbonitrile

Molecular Formula

C6H6N2O2S2

Molecular Mass

202.25

Cite this Page

5-Methyl-3-(methylsulfonyl)-4-isothiazolecarbonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=82000-51-9 (retrieved 2024-07-31) (CAS RN: 82000-51-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    101 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C6H6N2O2S2/c1-4-5(3-7)6(8-11-4)12(2,9)10/h1-2H3

InChIKey

InChIKey=YRDGTBDIAKVRAV-UHFFFAOYSA-N

SMILES

S(C)(=O)(=O)C=1C(C#N)=C(C)SN1

Canonical SMILES

N#CC1=C(SN=C1S(=O)(=O)C)C

Other Names for this Substance

  • 4-Isothiazolecarbonitrile, 5-methyl-3-(methylsulfonyl)-
  • 5-Methyl-3-(methylsulfonyl)-4-isothiazolecarbonitrile
  • 3-Methanesulfonyl-5-methyl-1,2-thiazole-4-carbonitrile