4-hydrazinyl-6-methyl-2-(methylsulfanyl)pyrimidine

• ChemBase编号: 307773
• 分子式: C6H10N4S
• 平均质量: 170.2354
• 单一同位素质量: 170.06261734
• SMILES: n1c(nc(cc1NN)C)SC
• Canonical SMILES: CSc1nc(NN)cc(n1)C
• InChI: InChI=1S/C6H10N4S/c1-4-3-5(10-7)9-6(8-4)11-2/h3H,7H2,1-2H3,(H,8,9,10)
• InChIKey: IICQWDJYVKCOTB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-hydrazinyl-6-methyl-2-(methylsulfanyl)pyrimidine
• IUPAC传统名: 4-hydrazinyl-6-methyl-2-(methylsulfanyl)pyrimidine
• 别名: 4-hydrazino-6-methyl-2-(methylthio)pyrimidine

登记号

• CAS号: 1980-54-7
• MDL号: MFCD08691666

理论计算性质

• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): 0.916818
• LogD (pH = 7.4): 1.4598117
• Log P: 1.474209
• 摩尔折射率: 50.0389 cm^3
• 极化性: 17.78651 Å^3
• 极化表面积: 63.83 Å^2