3-(5-Isothiazolyl)benzoic acid

CAS Registry Number®

904085-98-9

CAS Name

3-(5-Isothiazolyl)benzoic acid

Molecular Formula

C10H7NO2S

Molecular Mass

205.23

Cite this Page

3-(5-Isothiazolyl)benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=904085-98-9 (retrieved 2024-11-28) (CAS RN: 904085-98-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C10H7NO2S/c12-10(13)8-3-1-2-7(6-8)9-4-5-11-14-9/h1-6H,(H,12,13)

InChIKey

InChIKey=FOMBLNHQUFNKKY-UHFFFAOYSA-N

SMILES

C(O)(=O)C=1C=C(C=CC1)C2=CC=NS2

Canonical SMILES

O=C(O)C1=CC=CC(=C1)C=2SN=CC2

Other Names for this Substance

  • Benzoic acid, 3-(5-isothiazolyl)-
  • 3-(5-Isothiazolyl)benzoic acid

CAS INSIGHTSTM
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