| 1243327-31-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• CAS: 1243327-31-2
• 化学式: C₁₆H₁₃N₅OS
• 分子量: 323.378
• InChiKey: BWLLCCFQDOUIET-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.66
• 重原子数：
  23.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  82.43
• 氢给体数：
  3.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  1,2-二氢-2-氧代喹啉-3-甲醛 、 4-(2-吡啶基)氨基硫脲 以 乙醇 为溶剂， 生成
  参考文献：
  名称：

  Spectroscopy, Electrochemistry, and Structure of 3d-Transition Metal Complexes of Thiosemicarbazones with Quinoline Core: Evaluation of Antimicrobial Property

  摘要：

  A series of Co(II), Ni(II), Cu(II), and Zn(II) complexes of quinoline-thiosemicarbazones was prepared. The Schiff base ligands that provide N, O, and S donor atoms for ligation are synthesized by the condensation of 2-hydroxy-3-formylquinoline with substituted thiosemicarbazides in ethanol. The ligands and complexes are characterized by elemental analysis, infrared, 1H NMR, UV-Vis, fast atom bombardment (FAB) mass spectroscopy, and electron spin resonance (ESR) spectral studies followed by magnetic susceptibility and conductivity measurements. The ligand-to-metal ratio is found to be 1:1 and 2:2 for the complexes of L1H2 and L2H2, respectively. All the complexes are found to have octahedral geometry except [CuL1H(H2O)Cl], which exhibits a square pyramidal structure. All the complexes are nonelectrolytic in nature and the electrochemical behavior of complexes is dealt with briefly. Further ligands and complexes were evaluated for their antimicrobial activity against bacteria Escherichia coli and Pseudomonas aeruginosa and fungi Aspergillus niger and Cladosporidium.

  DOI：

  10.1080/00387010903329383