2-bromo-4,5-dimethyl-1,3-thiazole hydrobromide

• ChemBase编号: 310288
• 分子式: C5H7Br2NS
• 平均质量: 272.98878
• 单一同位素质量: 270.86659423
• SMILES: n1c(sc(c1C)C)Br.Br
• Canonical SMILES: Brc1sc(c(n1)C)C.Br
• InChI: InChI=1S/C5H6BrNS.BrH/c1-3-4(2)8-5(6)7-3;/h1-2H3;1H
• InChIKey: UUKFYOXKGYSDHH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-bromo-4,5-dimethyl-1,3-thiazole hydrobromide
• IUPAC传统名: 2-bromo-4,5-dimethyl-1,3-thiazole hydrobromide
• 别名: 2-bromo-4,5-dimethyl-1,3-thiazole hydrobromide

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 2.4733102
• LogD (pH = 7.4): 2.4733365
• Log P: 2.4733367
• 摩尔折射率: 38.539 cm^3
• 极化性: 14.692659 Å^3
• 极化表面积: 12.89 Å^2