Chem
J-GLOBAL ID：201807009034243538   Nikkaji number：J3.683.982A

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

1-[4-(メチルチオ)フェニル]-2-(4-ヘキシルフェニル)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： C21H24S
Molecular formula furigana： C21-H24-S
Molecular weight： 308.480
InChI： InChI=1S/C21H24S/c1-3-4-5-6-7-18-8-10-19(11-9-18)12-13-20-14-16-21(22-2)17-15-20/h8-11,14-17H,3-7H2,1-2H3
InChI key： XTJFTVNOSHDCCN-UHFFFAOYSA-N
SMILES： CCCCCCc1ccc(cc1)C#Cc1ccc(SC)cc1
Systematic name  (3)：
  • 1-[4-(メチルチオ)フェニル]-2-(4-ヘキシルフェニル)エチン
  • 1-ヘキシル-4-{2-[4-(メチルスルファニル)フェニル]エチニル}ベンゼン
  • 1-hexyl-4-{2-[4-(methylsulfanyl)phenyl]ethynyl}benzene
Other name (1)：
  • 1-[4-(Methylthio)phenyl]-2-(4-hexylphenyl)ethyne
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