2-(Acetylthio)benzoic acid

CAS Registry Number®

55819-78-8
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CAS Name

2-(Acetylthio)benzoic acid

Molecular Formula

C9H8O3S

Molecular Mass

196.22

Cite this Page

2-(Acetylthio)benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=55819-78-8 (retrieved 2024-08-27) (CAS RN: 55819-78-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    125 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H8O3S/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)

InChIKey

InChIKey=HIHUAMSKWMGUNW-UHFFFAOYSA-N

SMILES

C(O)(=O)C1=C(SC(C)=O)C=CC=C1

Canonical SMILES

O=C(O)C=1C=CC=CC1SC(=O)C

Other Names for this Substance

  • Benzoic acid, 2-(acetylthio)-
  • Benzoic acid, o-mercapto-, acetate
  • 2-(Acetylthio)benzoic acid
  • Thioaspirin
  • 2-Mercaptobenzoic acid S-acetate

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Deleted or Replaced CAS Registry Numbers

79639-44-4