Propanoic acid, 2-methyl-3-(phenylthio)-, methyl ester

CAS Registry Number®

777-80-0
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CAS Name

Propanoic acid, 2-methyl-3-(phenylthio)-, methyl ester

Molecular Formula

C11H14O2S

Molecular Mass

210.29

Cite this Page

Propanoic acid, 2-methyl-3-(phenylthio)-, methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=777-80-0 (retrieved 2024-08-24) (CAS RN: 777-80-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    154 °C @ Press: 13 Torr

  • Density (1)

    1.111 g/cm³ @ Temp: 20 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=GLYXACFPCLUSBA-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(OC)C(C)CSC=1C=CC=CC1

Other Names for this Substance

  • Propanoic acid, 2-methyl-3-(phenylthio)-, methyl ester
  • Propionic acid, 2-methyl-3-(phenylthio)-, methyl ester
  • Methyl 2-methyl-3-(phenylthio)propionate
  • NSC 2273
  • Methyl 2-methyl-3-(phenylthio)propanoate