Chem
J-GLOBAL ID:200907048402980764   Nikkaji number:J974.244A

4′,4′′′,5′,5′′′-Tetrakis(butylthio)-4,4′′-bi[Δ2,2′-bi(1,3-dithiol)]

2,2′-ビス[4,5-ビス(ブチルチオ)-1,3-ジチオール-2-イリデン]-4,4′-ビ[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: C28H38S12
Molecular formula furigana: C28-H38-S12
Molecular weight: 759.330
InChI: InChI=1S/C28H38S12/c1-5-9-13-29-21-22(30-14-10-6-2)38-27(37-21)25-33-17-19(35-25)20-18-34-26(36-20)28-39-23(31-15-11-7-3)24(40-28)32-16-12-8-4/h17-18H,5-16H2,1-4H3
InChI key: OCTRAARTLGTYOQ-UHFFFAOYSA-N
SMILES: CCCCSC1=C(SCCCC)S/C(=C/2\SC=C(S2)C2=CS/C(=C/3\SC(=C(SCCCC)S3)SCCCC)/S2)/S1
Systematic name  (4):
  • 4′,4′′′,5′,5′′′-テトラキス(ブチルチオ)-4,4′′-ビ[Δ2,2′-ビ(1,3-ジチオール)]
  • 2,2′-ビス[4,5-ビス(ブチルチオ)-1,3-ジチオール-2-イリデン]-4,4′-ビ[1,3-ジチオール]
  • 2-(4-{2-[4,5-ビス(ブチルスルファニル)-2H-1,3-ジチオール-2-イリデン]-2H-1,3-ジチオール-4-イル}-2H-1,3-ジチオール-2-イリデン)-4,5-ビス(ブチルスルファニル)-2H-1,3-ジチオール
  • 2-(4-{2-[4,5-bis(butylsulfanyl)-2H-1,3-dithiol-2-ylidene]-2H-1,3-dithiol-4-yl}-2H-1,3-dithiol-2-ylidene)-4,5-bis(butylsulfanyl)-2H-1,3-dithiole
Other name (2):
  • 4′,4′′′,5′,5′′′-Tetrakis(butylthio)-4,4′′-bi[Δ2,2′-bi(1,3-dithiol)]
  • 2,2′-Bis[4,5-bis(butylthio)-1,3-dithiol-2-ylidene]-4,4′-bi[1,3-dithiol]
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