Chem
J-GLOBAL ID：200907013211567184   Nikkaji number：J2.395.516D

Thioacetic acid S-(1-benzoylbutyl) ester

チオ酢酸S-(1-ベンゾイルブチル)
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C13H16O2S
Molecular formula furigana： C13-H16-O2-S
Molecular weight： 236.330
InChI： InChI=1S/C13H16O2S/c1-3-7-12(16-10(2)14)13(15)11-8-5-4-6-9-11/h4-6,8-9,12H,3,7H2,1-2H3
InChI key： FXYSFPISQMKXDN-UHFFFAOYSA-N
SMILES： CCCC(SC(=O)C)C(=O)c1ccccc1
Systematic name  (3)：
  • チオ酢酸S-(1-ベンゾイルブチル)
  • 2-(アセチルスルファニル)-1-フェニルペンタン-1-オン
  • 2-(acetylsulfanyl)-1-phenylpentan-1-one
Other name (1)：
  • Thioacetic acid S-(1-benzoylbutyl) ester
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