4-bromo-5-ethylthiophene-2-carbohydrazide

• ChemBase编号: 306446
• 分子式: C7H9BrN2OS
• 平均质量: 249.12816
• 单一同位素质量: 247.96189592
• SMILES: c1(sc(c(c1)Br)CC)C(=O)NN
• Canonical SMILES: NNC(=O)c1cc(c(s1)CC)Br
• InChI: InChI=1S/C7H9BrN2OS/c1-2-5-4(8)3-6(12-5)7(11)10-9/h3H,2,9H2,1H3,(H,10,11)
• InChIKey: QXWMGRCTVJVNBN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-bromo-5-ethylthiophene-2-carbohydrazide
• IUPAC传统名: 4-bromo-5-ethylthiophene-2-carbohydrazide
• 别名: 4-bromo-5-ethylthiophene-2-carbohydrazide

登记号

• CAS号: 832737-57-2
• MDL号: MFCD03423200

理论计算性质

• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): 2.29885
• LogD (pH = 7.4): 2.2994657
• Log P: 2.299474
• 摩尔折射率: 53.7135 cm^3
• 极化性: 19.871458 Å^3
• 极化表面积: 55.12 Å^2