4-(Ethylthio)-γ-oxobenzenebutanoic acid

CAS Registry Number®

7028-68-4

CAS Name

4-(Ethylthio)-γ-oxobenzenebutanoic acid

Molecular Formula

C12H14O3S

Molecular Mass

238.30

Cite this Page

4-(Ethylthio)-γ-oxobenzenebutanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=7028-68-4 (retrieved 2024-11-24) (CAS RN: 7028-68-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    114 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H14O3S/c1-2-16-10-5-3-9(4-6-10)11(13)7-8-12(14)15/h3-6H,2,7-8H2,1H3,(H,14,15)

InChIKey

InChIKey=CWQPKFWGOIESHG-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzenebutanoic acid, 4-(ethylthio)-γ-oxo-
  • Propionic acid, 3-[p-(ethylthio)benzoyl]-
  • 4-(Ethylthio)-γ-oxobenzenebutanoic acid