1H-pyrazole-3,5-dicarboxybis(thiosemicarbazide) | 1277181-58-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1H-pyrazole-3,5-dicarboxybis(thiosemicarbazide)
• CAS: 1277181-58-4
• 化学式: C₇H₁₀N₈O₂S₂
• 分子量: 302.341
• InChiKey: NGWYQEUCPKVSNR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.63
• 重原子数：
  19.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  162.98
• 氢给体数：
  7.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  1H-吡唑-3,5-二甲酰氯 、 氨基硫脲 以 乙醇 为溶剂， 反应 3.0h， 生成 1H-pyrazole-3,5-dicarboxybis(thiosemicarbazide)
  参考文献：
  名称：

  Synthesis, antimicrobial screening, and DNA-binding/cleavage of new pyrazole-based binuclear Co^II, Ni^II, Cu^II, and Zn^II complexes

  摘要：

  Pyrazolato endogenous bridged binuclear CoII, NiII, CuII, and ZnII complexes were prepared and characterized by spectro-analytical methods. The hexadentate N4S2 donor was synthesized by condensation of 3,5-dichloroformyl-1H-pyrazole with thiosemicarbazide in dry ethanol. All the complexes were binuclear and octahedral in nature. The ligand and complexes are screened for antimicrobial and DNA-binding/cleavage activities. The binding/cleavage activities with Escherichia coli DNA are monitored with absorption, hydrodynamic, thermal denaturation, and electrophoresis studies. The ligand possesses significant activity against microbes which is further enhanced upon complexation. The DNA-binding study reveals classical intercalation. The NiII and CuII complexes exhibit higher binding ability.

  DOI：

  10.1080/00958972.2011.555537