({2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl}methyl)(methyl)amine dihydrochloride

• ChemBase编号: 257623
• 分子式: C9H15Cl2N3S
• 平均质量: 268.2065
• 单一同位素质量: 267.03637386
• SMILES: c12n(c(c(n1)C)CNC)cc(s2)C.Cl.Cl
• Canonical SMILES: CNCc1c(C)nc2n1cc(s2)C.Cl.Cl
• InChI: InChI=1S/C9H13N3S.2ClH/c1-6-5-12-8(4-10-3)7(2)11-9(12)13-6;;/h5,10H,4H2,1-3H3;2*1H
• InChIKey: PSWOYKDTLKRQAT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ({2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl}methyl)(methyl)amine dihydrochloride
• IUPAC传统名: ({2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl}methyl)(methyl)amine dihydrochloride
• 别名: N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylamine dihydrochloride

登记号

• MDL号: MFCD11505506
• PubChem SID: 164313533
• PubChem CID: 43810714

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -2.2410512
• LogD (pH = 7.4): -0.53193575
• Log P: 0.9248
• 摩尔折射率: 66.2857 cm^3
• 极化性: 20.703968 Å^3
• 极化表面积: 29.33 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 215 - 217°C
• 疏水性(logP): 1.283

产品相关信息

• 纯度: 95%