4-(2,5-dimethylthiophen-3-yl)-2-hydrazinylpyrimidine

• ChemBase编号: 309807
• 分子式: C10H12N4S
• 平均质量: 220.29408
• 单一同位素质量: 220.0782674
• SMILES: c1(c(sc(c1)C)C)c1nc(ncc1)NN
• Canonical SMILES: NNc1nccc(n1)c1cc(sc1C)C
• InChI: InChI=1S/C10H12N4S/c1-6-5-8(7(2)15-6)9-3-4-12-10(13-9)14-11/h3-5H,11H2,1-2H3,(H,12,13,14)
• InChIKey: MCNGZYOEQGDHHA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-(2,5-dimethylthiophen-3-yl)-2-hydrazinylpyrimidine
• IUPAC传统名: 4-(2,5-dimethylthiophen-3-yl)-2-hydrazinylpyrimidine
• 别名: 4-(2,5-dimethyl-3-thienyl)-2-hydrazinopyrimidine

登记号

• MDL号: MFCD18917080

理论计算性质

• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): 2.9486883
• LogD (pH = 7.4): 3.2204087
• Log P: 3.2254033
• 摩尔折射率: 64.3576 cm^3
• 极化性: 24.229315 Å^3
• 极化表面积: 63.83 Å^2