Chem
J-GLOBAL ID：200907063299236864   Nikkaji number：J2.204.851A

6,13-Bis(octylthio)pentacene

6,13-ビス(オクチルチオ)ペンタセン
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： C38H46S2
Molecular formula furigana： C38-H46-S2
Molecular weight： 566.910
InChI： InChI=1S/C38H46S2/c1-3-5-7-9-11-17-23-39-37-33-25-29-19-13-15-21-31(29)27-35(33)38(40-24-18-12-10-8-6-4-2)36-28-32-22-16-14-20-30(32)26-34(36)37/h13-16,19-22,25-28H,3-12,17-18,23-24H2,1-2H3
InChI key： QESXEUXFBOSUNF-UHFFFAOYSA-N
SMILES： CCCCCCCCSc1c2cc3ccccc3cc2c(SCCCCCCCC)c2cc3ccccc3cc12
Systematic name  (3)：
  • 6,13-ビス(オクチルチオ)ペンタセン
  • 6,13-ビス(オクチルスルファニル)ペンタセン
  • 6,13-bis(octylsulfanyl)pentacene
Other name (1)：
  • 6,13-Bis(octylthio)pentacene
Thsaurus map：
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