Ethyl 4-(methylthio)-δ-oxobenzenepentanoate

CAS Registry Number®

854859-01-1

CAS Name

Ethyl 4-(methylthio)-δ-oxobenzenepentanoate

Molecular Formula

C14H18O3S

Molecular Mass

266.36

Cite this Page

Ethyl 4-(methylthio)-δ-oxobenzenepentanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=854859-01-1 (retrieved 2024-11-28) (CAS RN: 854859-01-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    44 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C14H18O3S/c1-3-17-14(16)6-4-5-13(15)11-7-9-12(18-2)10-8-11/h7-10H,3-6H2,1-2H3

InChIKey

InChIKey=QKHCNQQOXROBHU-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzenepentanoic acid, 4-(methylthio)-δ-oxo-, ethyl ester
  • Butyric acid, 4-[p-(methylthio)benzoyl]-, ethyl ester
  • Ethyl 4-(methylthio)-δ-oxobenzenepentanoate

CAS INSIGHTSTM
Hourglass and a clock