Chem
J-GLOBAL ID：200907007671436711
Nikkaji number：J614.047E
4-Mercaptobenzoic acid methyl ester
4-メルカプト安息香酸メチル
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/c1-10-8(9)6-2-4-7(11)5-3-6/h2-5,11H,1H3
InChI key：
BTZOMWXSWVOOHG-UHFFFAOYSA-N
SMILES：
COC(=O)c1ccc(S)cc1
Systematic name (4)：
- p-メルカプト安息香酸メチル
- 4-メルカプト安息香酸メチル
- メチル 4-スルファニルベンゾアート
- methyl 4-sulfanylbenzoate
- 4-Mercaptobenzoic acid methyl ester
- p-Mercaptobenzoic acid methyl ester
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