Chem
J-GLOBAL ID:200907002183698160   Nikkaji number:J719.111A

3,3′-[[4′,5′-Bis(decylthio)-Δ2,2′-bi[1,3-dithiol]-4,5-diyl]bis(thio)]bis(propanenitrile)

3,3′-[[4′,5′-ビス(デシルチオ)-Δ2,2′-ビ[1,3-ジチオール]-4,5-ジイル]ビス(チオ)]ビス(プロパンニトリル)
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: C32H50N2S8
Molecular formula furigana: C32-H50-N2-S8
Molecular weight: 719.250
InChI: InChI=1S/C32H50N2S8/c1-3-5-7-9-11-13-15-17-23-35-27-28(36-24-18-16-14-12-10-8-6-4-2)40-31(39-27)32-41-29(37-25-19-21-33)30(42-32)38-26-20-22-34/h3-20,23-26H2,1-2H3
InChI key: KPENUNXYYQAJAB-UHFFFAOYSA-N
SMILES: CCCCCCCCCCSC1=C(SCCCCCCCCCC)S/C(=C/2\SC(=C(SCCC#N)S2)SCCC#N)/S1
Systematic name  (3):
  • 3,3′-[[4′,5′-ビス(デシルチオ)-Δ2,2′-ビ[1,3-ジチオール]-4,5-ジイル]ビス(チオ)]ビス(プロパンニトリル)
  • 3-({2-[4,5-ビス(デシルスルファニル)-2H-1,3-ジチオール-2-イリデン]-5-[(2-シアノエチル)スルファニル]-2H-1,3-ジチオール-4-イル}スルファニル)プロパンニトリル
  • 3-({2-[4,5-bis(decylsulfanyl)-2H-1,3-dithiol-2-ylidene]-5-[(2-cyanoethyl)sulfanyl]-2H-1,3-dithiol-4-yl}sulfanyl)propanenitrile
Other name (1):
  • 3,3′-[[4′,5′-Bis(decylthio)-Δ2,2′-bi[1,3-dithiol]-4,5-diyl]bis(thio)]bis(propanenitrile)
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