Chem
J-GLOBAL ID：200907095219428970
Nikkaji number：J1.940.710A
3,3′-Dihexyl-5-bromo-5′-ethynyl-2,2′-bithiophene
3,3′-ジヘキシル-5-ブロモ-5′-エチニル-2,2′-ビチオフェン
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： C22H29BrS2
Molecular formula furigana： C22-H29-BR-S2
Molecular weight： 437.500
InChI：
InChI=1S/C22H29BrS2/c1-4-7-9-11-13-17-15-19(6-3)24-21(17)22-18(16-20(23)25-22)14-12-10-8-5-2/h3,15-16H,4-5,7-14H2,1-2H3
InChI key：
JIIPAAMRKAAYKR-UHFFFAOYSA-N
SMILES：
CCCCCCc1cc(Br)sc1c1sc(cc1CCCCCC)C#C
Systematic name (3)：
- 3,3′-ジヘキシル-5-ブロモ-5′-エチニル-2,2′-ビチオフェン
- 5-ブロモ-5'-エチニル-3,3'-ジヘキシル-2,2'-ビチオフェン
- 5-bromo-5'-ethynyl-3,3'-dihexyl-2,2'-bithiophene
- 3,3′-Dihexyl-5-bromo-5′-ethynyl-2,2′-bithiophene
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