3,5-Bis(methylthio)-4-isothiazolecarboxylic acid

CAS Registry Number®

4886-15-1

CAS Name

3,5-Bis(methylthio)-4-isothiazolecarboxylic acid

Molecular Formula

C6H7NO2S3

Molecular Mass

221.32

Cite this Page

3,5-Bis(methylthio)-4-isothiazolecarboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4886-15-1 (retrieved 2024-11-21) (CAS RN: 4886-15-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    241.0-242.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C6H7NO2S3/c1-10-4-3(5(8)9)6(11-2)12-7-4/h1-2H3,(H,8,9)

InChIKey

InChIKey=IQFPLSISGDGBMJ-UHFFFAOYSA-N

SMILES

C(O)(=O)C=1C(SC)=NSC1SC

Canonical SMILES

O=C(O)C=1C(=NSC1SC)SC

Other Names for this Substance

  • 4-Isothiazolecarboxylic acid, 3,5-bis(methylthio)-
  • 3,5-Bis(methylthio)-4-isothiazolecarboxylic acid
  • 3,5-Bis-methylsulfanyl-isothiazole-4-carboxylic acid

CAS INSIGHTSTM
Targeted protein degrader structure, illustration