3-Chloro-4-(methylthio)benzeneacetic acid

CAS Registry Number®

87776-75-8
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CAS Name

3-Chloro-4-(methylthio)benzeneacetic acid

Molecular Formula

C9H9ClO2S

Molecular Mass

216.68

Cite this Page

3-Chloro-4-(methylthio)benzeneacetic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=87776-75-8 (retrieved 2024-06-24) (CAS RN: 87776-75-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    105.6-108.4 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H9ClO2S/c1-13-8-3-2-6(4-7(8)10)5-9(11)12/h2-4H,5H2,1H3,(H,11,12)

InChIKey

InChIKey=RUUPIFBYMDGMPN-UHFFFAOYSA-N

SMILES

S(C)C1=C(Cl)C=C(CC(O)=O)C=C1

Canonical SMILES

O=C(O)CC1=CC=C(SC)C(Cl)=C1

Other Names for this Substance

  • Benzeneacetic acid, 3-chloro-4-(methylthio)-
  • 3-Chloro-4-(methylthio)benzeneacetic acid
  • (3-Chloro-4-methylsulfanylphenyl)acetic acid
  • 3-Chloro-4-methylthiophenylacetic acid
  • 2-[3-Chloro-4-(methylsulfanyl)phenyl]acetic acid

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