4-(Methylthio)-δ-oxobenzenepentanoic acid

CAS Registry Number®

845790-49-0
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CAS Name

4-(Methylthio)-δ-oxobenzenepentanoic acid

Molecular Formula

C12H14O3S

Molecular Mass

238.30

Cite this Page

4-(Methylthio)-δ-oxobenzenepentanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=845790-49-0 (retrieved 2024-08-03) (CAS RN: 845790-49-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    136 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H14O3S/c1-16-10-7-5-9(6-8-10)11(13)3-2-4-12(14)15/h5-8H,2-4H2,1H3,(H,14,15)

InChIKey

InChIKey=YXVDDYAHAFDVIY-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzenepentanoic acid, 4-(methylthio)-δ-oxo-
  • 4-(Methylthio)-δ-oxobenzenepentanoic acid