Chem
J-GLOBAL ID：200907093750735655   Nikkaji number：J2.197.054I

2-[4,5-Bis(propylthio)-1,3-dithiol-2-ylidene]-1,3-benzodithiol-5,6-dicarbonitrile

2-[4,5-ビス(プロピルチオ)-1,3-ジチオール-2-イリデン]-1,3-ベンゾジチオール-5,6-ジカルボニトリル
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： C18H16N2S6
Molecular formula furigana： C18-H16-N2-S6
Molecular weight： 452.700
InChI： InChI=1S/C18H16N2S6/c1-3-5-21-15-16(22-6-4-2)26-18(25-15)17-23-13-7-11(9-19)12(10-20)8-14(13)24-17/h7-8H,3-6H2,1-2H3
InChI key： UUGJBOROJXKEOR-UHFFFAOYSA-N
SMILES： CCCSC1=C(SCCC)SC(=C2Sc3cc(C#N)c(cc3S2)C#N)S1
Systematic name  (3)：
  • 2-[4,5-ビス(プロピルチオ)-1,3-ジチオール-2-イリデン]-1,3-ベンゾジチオール-5,6-ジカルボニトリル
  • 2-[4,5-ビス(プロピルスルファニル)-2H-1,3-ジチオール-2-イリデン]-2H-1,3-ベンゾジチオール-5,6-ジカルボニトリル
  • 2-[4,5-bis(propylsulfanyl)-2H-1,3-dithiol-2-ylidene]-2H-1,3-benzodithiole-5,6-dicarbonitrile
Other name (1)：
  • 2-[4,5-Bis(propylthio)-1,3-dithiol-2-ylidene]-1,3-benzodithiol-5,6-dicarbonitrile
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