Chem
J-GLOBAL ID：200907038808408985   Nikkaji number：J859.137G

3α-(3-Phenylpropyl)oxirane-2α-thiocarboxylic acid O-phenyl ester

3α-(3-フェニルプロピル)オキシラン-2α-チオカルボン酸O-フェニル
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： C18H18O2S
Molecular formula furigana： C18-H18-O2-S
Molecular weight： 298.400
InChI： InChI=1S/C18H18O2S/c21-18(19-15-11-5-2-6-12-15)17-16(20-17)13-7-10-14-8-3-1-4-9-14/h1-6,8-9,11-12,16-17H,7,10,13H2/t16-,17-/m0/s1
InChI key： OKQFDWVGIFHCBB-IRXDYDNUSA-N
SMILES： S=C(Oc1ccccc1)[C@H]1O[C@H]1CCCc1ccccc1
Systematic name  (3)：
  • 3α-(3-フェニルプロピル)オキシラン-2α-チオカルボン酸O-フェニル
  • フェニル (2S,3S)-3-(3-フェニルプロピル)オキシラン-2-カルボチオアート
  • phenyl (2S,3S)-3-(3-phenylpropyl)oxirane-2-carbothioate
Other name (1)：
  • 3α-(3-Phenylpropyl)oxirane-2α-thiocarboxylic acid O-phenyl ester
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