Chem
J-GLOBAL ID：201807006595081880   Nikkaji number：J3.683.981C

1-[4-(Methylthio)phenyl]-2-(4-pentylphenyl)ethyne

1-[4-(メチルチオ)フェニル]-2-(4-ペンチルフェニル)エチン
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： C20H22S
Molecular formula furigana： C20-H22-S
Molecular weight： 294.460
InChI： InChI=1S/C20H22S/c1-3-4-5-6-17-7-9-18(10-8-17)11-12-19-13-15-20(21-2)16-14-19/h7-10,13-16H,3-6H2,1-2H3
InChI key： KUXDSDFXFNZMKF-UHFFFAOYSA-N
SMILES： CCCCCc1ccc(cc1)C#Cc1ccc(SC)cc1
Systematic name  (3)：
  • 1-[4-(メチルチオ)フェニル]-2-(4-ペンチルフェニル)エチン
  • 1-{2-[4-(メチルスルファニル)フェニル]エチニル}-4-ペンチルベンゼン
  • 1-{2-[4-(methylsulfanyl)phenyl]ethynyl}-4-pentylbenzene
Other name (1)：
  • 1-[4-(Methylthio)phenyl]-2-(4-pentylphenyl)ethyne
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