Chem
J-GLOBAL ID：200907002644254596
Nikkaji number：J2.751.110D
4,4′,5-Tris(methylthio)-5′-[1-[1-(difluoroboryloxy)ethylidene]-2-oxopropylthio]-Δ2,2′-bi[1,3-dithiol]
4,4′,5-トリス(メチルチオ)-5′-[1-[1-(ジフルオロボリルオキシ)エチリデン]-2-オキソプロピルチオ]-Δ2,2′-ビ[1,3-ジチオール]
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： C14H15BF2O2S8
Molecular formula furigana： C14-H15-B-F2-O2-S8
Molecular weight： 520.559
InChI：
InChI=1S/C14H15BF2O2S8/c1-6(18)8(7(2)19-15(16)17)23-12-11(22-5)26-14(27-12)13-24-9(20-3)10(21-4)25-13/h1-5H3
InChI key：
CRNLMVDFBIPHMV-UHFFFAOYSA-N
SMILES：
CSC1=C(SC)S/C(=C/2\SC(=C(SC(=C(C)OB(F)F)C(=O)C)S2)SC)/S1
Systematic name (3)：
- 4,4′,5-トリス(メチルチオ)-5′-[1-[1-(ジフルオロボリルオキシ)エチリデン]-2-オキソプロピルチオ]-Δ2,2′-ビ[1,3-ジチオール]
- 3-({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-(メチルスルファニル)-2H-1,3-ジチオール-4-イル}スルファニル)-4-オキソペンタ-2-エン-2-イル ジフルオロボリナート
- 3-({2-[4,5-bis(methylsulfanyl)-2H-1,3-dithiol-2-ylidene]-5-(methylsulfanyl)-2H-1,3-dithiol-4-yl}sulfanyl)-4-oxopent-2-en-2-yl difluoroborinate
- 4,4′,5-Tris(methylthio)-5′-[1-[1-(difluoroboryloxy)ethylidene]-2-oxopropylthio]-Δ2,2′-bi[1,3-dithiol]
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