Chem
J-GLOBAL ID：200907022536189061   Nikkaji number：J102.210E

3-Methyldibenzothiophene

3-メチルジベンゾチオフェン
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： C13H10S
Molecular formula furigana： C13-H10-S
Molecular weight： 198.280
InChI： InChI=1S/C13H10S/c1-9-6-7-11-10-4-2-3-5-12(10)14-13(11)8-9/h2-8H,1H3
InChI key： URUCEYZTJIJMLX-UHFFFAOYSA-N
SMILES： Cc1ccc2c(c1)sc1ccccc21
Systematic name  (4)：
  • 3-メチルジベンゾチオフェン
  • 7-メチルジベンゾチオフェン
  • 5-メチル-8-チアトリシクロ[7.4.0.02,7]トリデカ-1(9),2(7),3,5,10,12-ヘキサエン
  • 5-methyl-8-thiatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
Other name (2)：
  • 3-Methyldibenzothiophene
  • 7-Methyldibenzothiophene
CAS registry number： 16587-52-3
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