2-[(3-Bromophenyl)thio]acetic acid

CAS Registry Number®

3996-39-2

CAS Name

2-[(3-Bromophenyl)thio]acetic acid

Molecular Formula

C8H7BrO2S

Molecular Mass

247.11

Cite this Page

2-[(3-Bromophenyl)thio]acetic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3996-39-2 (retrieved 2024-11-22) (CAS RN: 3996-39-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    87-89 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H7BrO2S/c9-6-2-1-3-7(4-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)

InChIKey

InChIKey=UNNRBTRSXFWJTG-UHFFFAOYSA-N

SMILES

S(CC(O)=O)C1=CC(Br)=CC=C1

Canonical SMILES

O=C(O)CSC=1C=CC=C(Br)C1

Other Names for this Substance

  • Acetic acid, 2-[(3-bromophenyl)thio]-
  • Acetic acid, [(m-bromophenyl)thio]-
  • Acetic acid, [(3-bromophenyl)thio]-
  • 2-[(3-Bromophenyl)thio]acetic acid
  • m-Bromophenylmercaptoacetic acid

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration