(2S)-3-(Benzoylthio)-2-methylpropanoic acid

CAS Registry Number®

72679-02-8
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CAS Name

(2S)-3-(Benzoylthio)-2-methylpropanoic acid

Molecular Formula

C11H12O3S

Molecular Mass

224.28

Cite this Page

(2S)-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=72679-02-8 (retrieved 2024-05-04) (CAS RN: 72679-02-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    69-71.5 °C

Source(s)

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

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)/t8-/m1/s1

InChIKey

InChIKey=BCAYPPFBOJCRPN-MRVPVSSYSA-N

SMILES

C(SC[C@H](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-, (2S)-
  • Propanoic acid, 3-(benzoylthio)-2-methyl-, (S)-
  • (2S)-3-(Benzoylthio)-2-methylpropanoic acid
  • (S)-(-)-3-(Benzoylthio)-2-methylpropanoic acid
  • (2S)-3-(Benzoylthio)-2-methylpropionic acid

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