Chem
J-GLOBAL ID：200907073040186562   Nikkaji number：J2.395.521K

α-(Methylthio)valerophenone

α-(メチルチオ)バレロフェノン
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： C12H16OS
Molecular formula furigana： C12-H16-O-S
Molecular weight： 208.320
InChI： InChI=1S/C12H16OS/c1-3-7-11(14-2)12(13)10-8-5-4-6-9-10/h4-6,8-9,11H,3,7H2,1-2H3
InChI key： FJBAGGJSHXWYJS-UHFFFAOYSA-N
SMILES： CCCC(SC)C(=O)c1ccccc1
Systematic name  (4)：
  • α-(メチルチオ)バレロフェノン
  • 1-フェニル-2-(メチルチオ)-1-ペンタノン
  • 2-(メチルスルファニル)-1-フェニルペンタン-1-オン
  • 2-(methylsulfanyl)-1-phenylpentan-1-one
Other name (2)：
  • α-(Methylthio)valerophenone
  • 1-Phenyl-2-(methylthio)-1-pentanone
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