5-Bromo-2-(methylthio)benzoic acid

CAS Registry Number®

62176-40-3
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CAS Name

5-Bromo-2-(methylthio)benzoic acid

Molecular Formula

C8H7BrO2S

Molecular Mass

247.11

Cite this Page

5-Bromo-2-(methylthio)benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=62176-40-3 (retrieved 2024-08-03) (CAS RN: 62176-40-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    204.8-206.7 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C8H7BrO2S/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4H,1H3,(H,10,11)

InChIKey

InChIKey=JRDNZLIFVSCBHM-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(O)C1=CC(Br)=CC=C1SC

Other Names for this Substance

  • Benzoic acid, 5-bromo-2-(methylthio)-
  • 5-Bromo-2-(methylthio)benzoic acid