3-methyl-6-(thiophen-2-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbohydrazide

• ChemBase编号: 230551
• 分子式: C14H10F3N3OS2
• 平均质量: 357.3739096
• 单一同位素质量: 357.02173862
• SMILES: c1(c(c2c(s1)nc(cc2C(F)(F)F)c1sccc1)C)C(=O)NN
• Canonical SMILES: NNC(=O)c1sc2c(c1C)c(cc(n2)c1cccs1)C(F)(F)F
• InChI: InChI=1S/C14H10F3N3OS2/c1-6-10-7(14(15,16)17)5-8(9-3-2-4-22-9)19-13(10)23-11(6)12(21)20-18/h2-5H,18H2,1H3,(H,20,21)
• InChIKey: VHRFDICHUCKZDT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-methyl-6-(thiophen-2-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbohydrazide
• IUPAC传统名: 3-methyl-6-(thiophen-2-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbohydrazide
• 别名: 3-Methyl-6-thiophen-2-yl-4-trifluoromethyl-thieno[2,3-b]pyridine-2-carboxylic acid hydrazide

登记号

• MDL号: MFCD06660655
• PubChem SID: 164286461
• PubChem CID: 3781578

理论计算性质

• 极化表面积: 68.01 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true
• Acid pKa: 14.170459
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): 3.8865316
• LogD (pH = 7.4): 3.8871498
• Log P: 3.887158
• 摩尔折射率: 83.2094 cm^3
• 极化性: 31.725868 Å^3

分子性质

产品相关信息

• 纯度: 95%