Chem
J-GLOBAL ID：200907026346887833
Nikkaji number：J2.322.535B
6α,13β-Bis(methylthio)-6,13-dihydropentacene
6α,13β-ビス(メチルチオ)-6,13-ジヒドロペンタセン
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： C24H20S2
Molecular formula furigana： C24-H20-S2
Molecular weight： 372.540
InChI：
InChI=1S/C24H20S2/c1-25-23-19-11-15-7-3-5-9-17(15)13-21(19)24(26-2)22-14-18-10-6-4-8-16(18)12-20(22)23/h3-14,23-24H,1-2H3/t23-,24-
InChI key：
RXPLKNOCSXGNJM-RQNOJGIXSA-N
SMILES：
CS[C@H]1c2cc3ccccc3cc2[C@H](SC)c2cc3ccccc3cc12
Systematic name (3)：
- 6α,13β-ビス(メチルチオ)-6,13-ジヒドロペンタセン
- (6r,13r)-6,13-ビス(メチルスルファニル)-6,13-ジヒドロペンタセン
- (6r,13r)-6,13-bis(methylsulfanyl)-6,13-dihydropentacene
- 6α,13β-Bis(methylthio)-6,13-dihydropentacene
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