Chem
J-GLOBAL ID：200907001112123012   Nikkaji number：J1.328.064I

2-(5-Butyl-5H-1,3-dithia-5-azapentalene-2-ylidene)-4,5-bis(methylthio)-1,3-dithiol

2-(5-ブチル-5H-1,3-ジチア-5-アザペンタレン-2-イリデン)-4,5-ビス(メチルチオ)-1,3-ジチオール
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： C14H17NS6
Molecular formula furigana： C14-H17-N-S6
Molecular weight： 391.660
InChI： InChI=1S/C14H17NS6/c1-4-5-6-15-7-9-10(8-15)19-13(18-9)14-20-11(16-2)12(17-3)21-14/h7-8H,4-6H2,1-3H3
InChI key： PTRGWKHGWNDGGB-UHFFFAOYSA-N
SMILES： CCCCn1cc2sc(=C3SC(=C(SC)S3)SC)sc2c1
Systematic name  (5)：
  • 2-[4,5-ビス(メチルチオ)-1,3-ジチオール-2-イリデン]-5-ブチル-5H-1,3-ジチオロ[4,5-c]ピロール
  • 2-(5-ブチル-5H-1,3-ジチア-5-アザペンタレン-2-イリデン)-4,5-ビス(メチルチオ)-1,3-ジチオール
  • 5-ブチル-2-[4,5-ビス(メチルチオ)-1,3-ジチオール-2-イリデン]-5H-1,3-ジチオロ[4,5-c]ピロール
  • 2-[4,5-ビス(メチルスルファニル)-2H-1,3-ジチオール-2-イリデン]-5-ブチル-2H,5H-[1,3]ジチオロ[4,5-c]ピロール
  • 2-[4,5-bis(methylsulfanyl)-2H-1,3-dithiol-2-ylidene]-5-butyl-2H,5H-[1,3]dithiolo[4,5-c]pyrrole
Other name (3)：
  • 2-[4,5-Bis(methylthio)-1,3-dithiol-2-ylidene]-5-butyl-5H-1,3-dithiolo[4,5-c]pyrrole
  • 2-(5-Butyl-5H-1,3-dithia-5-azapentalene-2-ylidene)-4,5-bis(methylthio)-1,3-dithiol
  • 5-Butyl-2-[4,5-bis(methylthio)-1,3-dithiol-2-ylidene]-5H-1,3-dithiolo[4,5-c]pyrrole
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