Chem
J-GLOBAL ID:200907096181093851   Nikkaji number:J1.221.327A

3,3′′′′′-Bis(butylthio)-2,2′:5,2′′:5′′,2′′′:5′′′,2′′′′:5′′′′,2′′′′′-sexithiophene

3,3′′′′′-ビス(ブチルチオ)-2,2′:5,2′′:5′′,2′′′:5′′′,2′′′′:5′′′′,2′′′′′-セキシチオフェン
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: C32H30S8
Molecular formula furigana: C32-H30-S8
Molecular weight: 671.070
InChI: InChI=1S/C32H30S8/c1-3-5-16-33-27-15-19-36-31(27)28-14-13-24(39-28)23-10-9-21(37-23)22-11-12-25(38-22)29-20-30(35-17-6-4-2)32(40-29)26-8-7-18-34-26/h7-15,18-20H,3-6,16-17H2,1-2H3
InChI key: HZXIVGKTQFJFIT-UHFFFAOYSA-N
SMILES: CCCCSc1ccsc1c1ccc(s1)c1ccc(s1)c1ccc(s1)c1cc(SCCCC)c(s1)c1cccs1
Systematic name  (3):
  • 3,3′′′′′-ビス(ブチルチオ)-2,2′:5,2′′:5′′,2′′′:5′′′,2′′′′:5′′′′,2′′′′′-セキシチオフェン
  • 5-[3'-(ブチルスルファニル)-[2,2'-ビチオフェン]-5-イル]-5'-[3-(ブチルスルファニル)-[2,2'-ビチオフェン]-5-イル]-2,2'-ビチオフェン
  • 5-[3'-(butylsulfanyl)-[2,2'-bithiophen]-5-yl]-5'-[3-(butylsulfanyl)-[2,2'-bithiophen]-5-yl]-2,2'-bithiophene
Other name (1):
  • 3,3′′′′′-Bis(butylthio)-2,2′:5,2′′:5′′,2′′′:5′′′,2′′′′:5′′′′,2′′′′′-sexithiophene
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