ethyl 2-(tributylstannyl)-1,3-thiazole-4-carboxylate

• ChemBase编号: 814449
• 分子式: C18H33NO2SSn
• 平均质量: 446.22612
• 单一同位素质量: 447.1253943
• SMILES: s1c(nc(c1)C(=O)OCC)[Sn](CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](c1scc(n1)C(=O)OCC)(CCCC)CCCC
• InChI: InChI=1S/C6H6NO2S.3C4H9.Sn/c1-2-9-6(8)5-3-10-4-7-5;3*1-3-4-2;/h3H,2H2,1H3;3*1,3-4H2,2H3
• InChIKey: NFWFYRMBJKQPBM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl 2-(tributylstannyl)-1,3-thiazole-4-carboxylate
• IUPAC传统名: ethyl 2-(tributylstannyl)-1,3-thiazole-4-carboxylate
• 别名: ethyl 2-(tributylstannyl)thiazole-4-carboxylate

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 4.6798882
• LogD (pH = 7.4): 4.6798997
• Log P: 4.6799
• 摩尔折射率: 94.9736 cm^3
• 极化性: 41.923508 Å^3
• 极化表面积: 39.19 Å^2
• 可自由旋转的化学键: 13
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 98%