Chem
J-GLOBAL ID：200907082491509895   Nikkaji number：J1.367.752B

2-(α-Thioxobenzylthio)isobutyric acid ethyl ester

2-(α-チオキソベンジルチオ)イソ酪酸エチル
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： C13H16O2S2
Molecular formula furigana： C13-H16-O2-S2
Molecular weight： 268.390
InChI： InChI=1S/C13H16O2S2/c1-4-15-12(14)13(2,3)17-11(16)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3
InChI key： MDFLMFRGXQRZII-UHFFFAOYSA-N
SMILES： CCOC(=O)C(C)(C)SC(=S)c1ccccc1
Systematic name  (12)：
  • ジチオ安息香酸1-(エトキシカルボニル)-1-メチルエチル
  • ジチオ安息香酸1-メチル-1-(エトキシカルボニル)エチル
  • ジチオ安息香酸2-(エトキシカルボニル)プロパン-2-イル
  • 2-(α-チオキソベンジルチオ)イソ酪酸エチル
  • 2-メチル-2-[フェニル(チオカルボニル)チオ]プロパン酸エチル
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Other name (10)：
  • Dithiobenzoic acid 1-(ethoxycarbonyl)-1-methylethyl ester
  • Dithiobenzoic acid 1-methyl-1-(ethoxycarbonyl)ethyl ester
  • Dithiobenzoic acid 2-(ethoxycarbonyl)propane-2-yl ester
  • 2-(α-Thioxobenzylthio)isobutyric acid ethyl ester
  • 2-Methyl-2-[phenyl(thiocarbonyl)thio]propanoic acid ethyl ester
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