2-Methyl-2-[(phenylmethyl)thio]propanoic acid

CAS Registry Number®

36038-77-4

CAS Name

2-Methyl-2-[(phenylmethyl)thio]propanoic acid

Molecular Formula

C11H14O2S

Molecular Mass

210.29

Cite this Page

2-Methyl-2-[(phenylmethyl)thio]propanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=36038-77-4 (retrieved 2024-12-21) (CAS RN: 36038-77-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    131 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C11H14O2S/c1-11(2,10(12)13)14-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,12,13)

InChIKey

InChIKey=JUJFTDYFKXDNHY-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Propanoic acid, 2-methyl-2-[(phenylmethyl)thio]-
  • Propionic acid, 2-(benzylthio)-2-methyl-
  • 2-Methyl-2-[(phenylmethyl)thio]propanoic acid
  • (Benzylmercapto)dimethylacetic acid
  • α-(Benzylthio)isobutyric acid

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