(5Z)-5-[(5-bromofuran-2-yl)methylidene]-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one

• ChemBase编号: 311183
• 分子式: C14H14BrNO2S2
• 平均质量: 372.30046
• 单一同位素质量: 370.96493269
• SMILES: N1(C(=S)S/C(=C\c2oc(cc2)Br)/C1=O)C1CCCCC1
• Canonical SMILES: S=C1S/C(=C\c2ccc(o2)Br)/C(=O)N1C1CCCCC1
• InChI: InChI=1S/C14H14BrNO2S2/c15-12-7-6-10(18-12)8-11-13(17)16(14(19)20-11)9-4-2-1-3-5-9/h6-9H,1-5H2/b11-8-
• InChIKey: VEAZVPGBVXUNDT-FLIBITNWSA-N

名称和登记号

名称

• IUPAC标准名: (5Z)-5-[(5-bromofuran-2-yl)methylidene]-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one
• IUPAC传统名: (5Z)-5-[(5-bromofuran-2-yl)methylidene]-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one
• 别名: (5Z)-5-[(5-bromo-2-furyl)methylene]-3-cyclohexyl-2-thioxo-1,3-thiazolidin-4-one

登记号

• CAS号: 292034-08-3
• MDL号: MFCD01361916

理论计算性质

• LogD (pH = 7.4): 4.29213
• Log P: 4.29213
• 摩尔折射率: 89.9185 cm^3
• 极化性: 34.581097 Å^3
• 极化表面积: 33.45 Å^2
• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 4.29213