Methyl 6-[(3,5-difluorophenyl)thio]-2-oxohexanoate

CAS Registry Number®

2254573-76-5
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CAS Name

Methyl 6-[(3,5-difluorophenyl)thio]-2-oxohexanoate

Molecular Formula

C13H14F2O3S

Molecular Mass

288.31

Cite this Page

Methyl 6-[(3,5-difluorophenyl)thio]-2-oxohexanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2254573-76-5 (retrieved 2024-08-27) (CAS RN: 2254573-76-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H14F2O3S/c1-18-13(17)12(16)4-2-3-5-19-11-7-9(14)6-10(15)8-11/h6-8H,2-5H2,1H3

InChIKey

InChIKey=DUWHTCBWDKSGNH-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(OC)C(=O)CCCCSC=1C=C(F)C=C(F)C1

Other Names for this Substance

  • Hexanoic acid, 6-[(3,5-difluorophenyl)thio]-2-oxo-, methyl ester
  • Methyl 6-[(3,5-difluorophenyl)thio]-2-oxohexanoate