1-{imidazo[2,1-b][1,3]thiazol-6-yl}ethan-1-amine dihydrochloride

• ChemBase编号: 55462
• 分子式: C7H11Cl2N3S
• 平均质量: 240.15334
• 单一同位素质量: 239.00507373
• SMILES: Cl.Cl.NC(C)c1nc2sccn2c1
• Canonical SMILES: CC(c1nc2n(c1)ccs2)N.Cl.Cl
• InChI: InChI=1S/C7H9N3S.2ClH/c1-5(8)6-4-10-2-3-11-7(10)9-6;;/h2-5H,8H2,1H3;2*1H
• InChIKey: YTGHEXVLUUDAIR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-{imidazo[2,1-b][1,3]thiazol-6-yl}ethan-1-amine dihydrochloride
• IUPAC传统名: 1-{imidazo[2,1-b][1,3]thiazol-6-yl}ethanamine dihydrochloride
• 别名: (1-Imidazo[2,1-b][1,3]thiazol-6-ylethyl)amine dihydrochloride; (1-Imidazo[2,1-b][1,3]thiazol-6-ylethyl)amine dihydrochloride

登记号

• MDL号: MFCD09864447
• PubChem SID: 162060225
• PubChem CID: 24251758

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -2.3360229
• LogD (pH = 7.4): -0.6400107
• Log P: 0.6491
• 摩尔折射率: 55.9575 cm^3
• 极化性: 17.18628 Å^3
• 极化表面积: 43.32 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: IRRITANT
• TSCA收录: false

产品相关信息

• Empirical Formula (Hill Notation): C7H11Cl2N3S

详细说明

Sigma Aldrich - CBR00664

Other Notes
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