4-hydrazinyl-7-methylthieno[3,2-d]pyrimidine

• ChemBase编号: 81657
• 分子式: C7H8N4S
• 平均质量: 180.23022
• 单一同位素质量: 180.04696728
• SMILES: s1c2c(ncnc2NN)c(c1)C
• Canonical SMILES: NNc1ncnc2c1scc2C
• InChI: InChI=1S/C7H8N4S/c1-4-2-12-6-5(4)9-3-10-7(6)11-8/h2-3H,8H2,1H3,(H,9,10,11)
• InChIKey: OYVFRPLAVKGESQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-hydrazinyl-7-methylthieno[3,2-d]pyrimidine
• IUPAC传统名: 4-hydrazinyl-7-methylthieno[3,2-d]pyrimidine
• 别名: 4-hydrazino-7-methylthieno[3,2-d]pyrimidine

登记号

• CAS号: 175137-22-1
• MDL号: MFCD00205196
• PubChem SID: 162068776
• PubChem CID: 2777587

理论计算性质

• Acid pKa: 17.260305
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): 1.7578199
• LogD (pH = 7.4): 1.8096241
• Log P: 1.8111321
• 摩尔折射率: 50.7518 cm^3
• 极化性: 19.033295 Å^3
• 极化表面积: 63.83 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true