5H,6H-imidazo[2,1-b][1,3]thiazol-3-ylmethanamine dihydrobromide

• ChemBase编号: 310235
• 分子式: C6H11Br2N3S
• 平均质量: 317.04464
• 单一同位素质量: 314.90404237
• SMILES: c12=NCCn1c(cs2)CN.Br.Br
• Canonical SMILES: NCc1csc2=NCCn12.Br.Br
• InChI: InChI=1S/C6H9N3S.2BrH/c7-3-5-4-10-6-8-1-2-9(5)6;;/h4H,1-3,7H2;2*1H
• InChIKey: CWUGRPXDDPYKFA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5H,6H-imidazo[2,1-b][1,3]thiazol-3-ylmethanamine dihydrobromide
• IUPAC传统名: 5H,6H-imidazo[2,1-b][1,3]thiazol-3-ylmethanamine dihydrobromide
• 别名: (5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)amine dihydrobromide

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -3.944089
• LogD (pH = 7.4): -1.9325222
• Log P: -0.5617543
• 摩尔折射率: 44.2313 cm^3
• 极化性: 16.562393 Å^3
• 极化表面积: 41.62 Å^2