imidazo[2,1-b][1,3]thiazol-6-ylmethanamine dihydrochloride

• ChemBase编号: 144325
• 分子式: C6H9Cl2N3S
• 平均质量: 226.12676
• 单一同位素质量: 224.98942366
• SMILES: c1csc2n1cc(n2)CN.Cl.Cl
• Canonical SMILES: NCc1nc2n(c1)ccs2.Cl.Cl
• InChI: InChI=1S/C6H7N3S.2ClH/c7-3-5-4-9-1-2-10-6(9)8-5;;/h1-2,4H,3,7H2;2*1H
• InChIKey: GGDPTFFNPHDTFD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: imidazo[2,1-b][1,3]thiazol-6-ylmethanamine dihydrochloride
• IUPAC传统名: imidazo[2,1-b][1,3]thiazol-6-ylmethanamine dihydrochloride
• 别名: (Imidazo[2,1-b][1,3]thiazol-6-ylmethyl)amine dihydrochloride; 1-imidazo[2,1-b][1,3]thiazol-6-ylmethanamine dihydrochloride

登记号

• MDL号: MFCD10686676
• PubChem SID: 162238540
• PubChem CID: 43810536

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -2.702967
• LogD (pH = 7.4): -0.9549815
• Log P: 0.1116
• 摩尔折射率: 51.4636 cm^3
• 极化性: 15.352601 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

理化性质

• 熔点: 260 - 262°C
• 疏水性(logP): -0.081

产品相关信息

• 纯度: 95%
• Empirical Formula (Hill Notation): C6H9Cl2N3S

详细说明

Sigma Aldrich - CBR00973

Analysis Note
may contain trace amounts of water and/or NaCl
Other Notes
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