3-(Benzoylthio)-2-methylpropanoic acid

CAS Registry Number®

74431-50-8
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CAS Name

3-(Benzoylthio)-2-methylpropanoic acid

Molecular Formula

C11H12O3S

Molecular Mass

224.28

Cite this Page

3-(Benzoylthio)-2-methylpropanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=74431-50-8 (retrieved 2024-04-27) (CAS RN: 74431-50-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C11H12O3S/c1-8(10(12)13)7-15-11(14)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,13)

InChIKey

InChIKey=BCAYPPFBOJCRPN-UHFFFAOYSA-N

SMILES

C(SCC(C(O)=O)C)(=O)C1=CC=CC=C1

Canonical SMILES

O=C(SCC(C(=O)O)C)C=1C=CC=CC1

Other Names for this Substance

  • Propanoic acid, 3-(benzoylthio)-2-methyl-
  • Propanoic acid, 3-(benzoylthio)-2-methyl-, (±)-
  • 3-(Benzoylthio)-2-methylpropanoic acid
  • 3-(Benzoylthio)-2-methylpropionic acid
  • 3-(Benzoylthio)isobutyric acid

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Deleted or Replaced CAS Registry Numbers

67714-34-5

CAS INSIGHTSTM
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