Chem
J-GLOBAL ID：201807011408113450
Nikkaji number：J3.683.325D
2-[5-Thioxo-4′,5′-bis(propylthio)-Δ2,2′-bi[1,3-dithiol]-4-ylidene]-1,3-dithiol-4,5-dicarboxylic acid dimethyl ester
2-[5-チオキソ-4′,5′-ビス(プロピルチオ)-Δ2,2′-ビ[1,3-ジチオール]-4-イリデン]-1,3-ジチオール-4,5-ジカルボン酸ジメチル
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： C19H20O4S9
Molecular formula furigana： C19-H20-O4-S9
Molecular weight： 600.910
InChI：
InChI=1S/C19H20O4S9/c1-5-7-25-16-17(26-8-6-2)32-19(31-16)18-29-11(14(24)30-18)15-27-9(12(20)22-3)10(28-15)13(21)23-4/h5-8H2,1-4H3
InChI key：
MPVKIHXHRQFBDT-UHFFFAOYSA-N
SMILES：
CCCSC1=C(SCCC)S/C(=c/2\sc(=S)/c(=C/3\SC(=C(S3)C(=O)OC)C(=O)OC)/s2)/S1
Systematic name (3)：
- 2-[5-チオキソ-4′,5′-ビス(プロピルチオ)-Δ2,2′-ビ[1,3-ジチオール]-4-イリデン]-1,3-ジチオール-4,5-ジカルボン酸ジメチル
- 4,5-ジメチル 2-{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]-5-スルファニリデン-1,3-ジチオラン-4-イリデン}-2H-1,3-ジチオール-4,5-ジカルボキシラート
- 4,5-dimethyl 2-{2-[4,5-bis(propylsulfanyl)-2H-1,3-dithiol-2-ylidene]-5-sulfanylidene-1,3-dithiolan-4-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate
- 2-[5-Thioxo-4′,5′-bis(propylthio)-Δ2,2′-bi[1,3-dithiol]-4-ylidene]-1,3-dithiol-4,5-dicarboxylic acid dimethyl ester
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