Chem
J-GLOBAL ID：200907043915571698   Nikkaji number：J124.158C

4-(Methylthio)benzoic acid

4-(メチルチオ)安息香酸
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： C8H8O2S
Molecular formula furigana： C8-H8-O2-S
Molecular weight： 168.210
InChI： InChI=1S/C8H8O2S/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)
InChI key： KWHCPERWLHBLOT-UHFFFAOYSA-N
SMILES： CSc1ccc(cc1)C(=O)O
Systematic name  (5)：
  • 4-(メチルチオ)安息香酸
  • p-(メチルチオ)安息香酸
  • メチル4-(ヒドロキシカルボニル)フェニルスルフィド
  • 4-(メチルスルファニル)安息香酸
  • 4-(methylsulfanyl)benzoic acid
Other name (3)：
  • p-(Methylthio)benzoic acid
  • 4-(Methylthio)benzoic acid
  • Methyl 4-(hydroxycarbonyl)phenyl sulfide
CAS registry number： 13205-48-6
Regulation number (1)：
  • EINECS2361715
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