[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methanamine dihydrochloride

• ChemBase编号: 88295
• 分子式: C9H12Cl2N2S2
• 平均质量: 283.24098
• 单一同位素质量: 281.98189575
• SMILES: n1c(scc1c1ccc(s1)CN)C.Cl.Cl
• Canonical SMILES: NCc1ccc(s1)c1csc(n1)C.Cl.Cl
• InChI: InChI=1S/C9H10N2S2.2ClH/c1-6-11-8(5-12-6)9-3-2-7(4-10)13-9;;/h2-3,5H,4,10H2,1H3;2*1H
• InChIKey: MEUGRQXKXWDEPC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methanamine dihydrochloride
• IUPAC传统名: [5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methanamine dihydrochloride
• 别名: 2-(Aminomethyl)-[5-(2-methyl-1,3-thiazol-4-yl)thiophene dihydrochloride, [5-(2-Methyl-1,3-thiazol-4-yl)thien-2-yl]methylamine dihydrochloride; 4-[5-(Aminomethyl)thien-2-yl]-2-methyl-1,3-thiazole dihydrochloride

登记号

• MDL号: MFCD07704030
• PubChem SID: 162075272
• PubChem CID: 24252518

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -0.9907632
• LogD (pH = 7.4): 0.49553058
• Log P: 1.823535
• 摩尔折射率: 55.6187 cm^3
• 极化性: 22.842735 Å^3
• 极化表面积: 38.91 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: Harmful/Irritant/Keep Cold