5-Methyl-3-phenyl-4-isothiazolecarbonitrile

CAS Registry Number®

13950-63-5

CAS Name

5-Methyl-3-phenyl-4-isothiazolecarbonitrile

Molecular Formula

C11H8N2S

Molecular Mass

200.26

Cite this Page

5-Methyl-3-phenyl-4-isothiazolecarbonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=13950-63-5 (retrieved 2024-11-21) (CAS RN: 13950-63-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    72-73 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C11H8N2S/c1-8-10(7-12)11(13-14-8)9-5-3-2-4-6-9/h2-6H,1H3

InChIKey

InChIKey=YTFPCDXTBRASGJ-UHFFFAOYSA-N

SMILES

C(#N)C=1C(=NSC1C)C2=CC=CC=C2

Canonical SMILES

N#CC=1C(=NSC1C)C=2C=CC=CC2

Other Names for this Substance

  • 4-Isothiazolecarbonitrile, 5-methyl-3-phenyl-
  • 5-Methyl-3-phenyl-4-isothiazolecarbonitrile

CAS INSIGHTSTM
Targeted protein degrader structure, illustration