Chem
J-GLOBAL ID：200907094151069597
Nikkaji number：J2.577.168K
4-(2-Methylphenyl)benzotrithiole
4-(2-メチルフェニル)ベンゾトリチオール
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： C13H10S3
Molecular formula furigana： C13-H10-S3
Molecular weight： 262.400
InChI：
InChI=1S/C13H10S3/c1-9-5-2-3-6-10(9)11-7-4-8-12-13(11)15-16-14-12/h2-8H,1H3
InChI key：
QXFNFUMWPLUNBM-UHFFFAOYSA-N
SMILES：
Cc1ccccc1c1cccc2SSSc12
Systematic name (3)：
- 4-(2-メチルフェニル)ベンゾトリチオール
- 4-(2-メチルフェニル)-1,2,3-ベンゾトリチオール
- 4-(2-methylphenyl)-1,2,3-benzotrithiole
- 4-(2-Methylphenyl)benzotrithiole
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