Chem
J-GLOBAL ID：200907043878512228
Nikkaji number：J102.263F
3-(Methylthio)benzoic acid
3-(メチルチオ)安息香酸
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
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
Molecular formula： C8H8O2S
Molecular formula furigana： C8-H8-O2-S
Molecular weight： 168.210
InChI：
InChI=1S/C8H8O2S/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H,9,10)
InChI key：
PZGADOOBMVLBJE-UHFFFAOYSA-N
SMILES：
CSc1cccc(c1)C(=O)O
Systematic name (3)：
- 3-(メチルチオ)安息香酸
- 3-(メチルスルファニル)安息香酸
- 3-(methylsulfanyl)benzoic acid
- 3-(Methylthio)benzoic acid
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