3-(3-Methyl-5-isothiazolyl)benzoic acid

CAS Registry Number®

1401522-26-6

CAS Name

3-(3-Methyl-5-isothiazolyl)benzoic acid

Molecular Formula

C11H9NO2S

Molecular Mass

219.26

Cite this Page

3-(3-Methyl-5-isothiazolyl)benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1401522-26-6 (retrieved 2024-12-13) (CAS RN: 1401522-26-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C11H9NO2S/c1-7-5-10(15-12-7)8-3-2-4-9(6-8)11(13)14/h2-6H,1H3,(H,13,14)

InChIKey

InChIKey=MBFMJFWECSIPFN-UHFFFAOYSA-N

SMILES

C(O)(=O)C=1C=C(C=CC1)C=2SN=C(C)C2

Canonical SMILES

O=C(O)C1=CC=CC(=C1)C=2SN=C(C2)C

Other Names for this Substance

  • Benzoic acid, 3-(3-methyl-5-isothiazolyl)-
  • 3-(3-Methyl-5-isothiazolyl)benzoic acid

CAS INSIGHTSTM
Abstract molecules design, Atoms, Medical background