N'-[(4-methoxyphenyl)methylidene]piperazine-1-carbothiohydrazide | 926667-40-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: N'-[(4-methoxyphenyl)methylidene]piperazine-1-carbothiohydrazide
• 英文别名: N-[(4-methoxyphenyl)methylideneamino]piperazine-1-carbothioamide
• CAS: 926667-40-5
• 化学式: C₁₃H₁₈N₄OS
• 分子量: 278.378
• InChiKey: SSNXZRJQKUJNRQ-UHFFFAOYSA-N

物化性质

• 沸点：
  420.3±55.0 °C(Predicted)
• 密度：
  1.24±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.81
• 重原子数：
  19.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  48.89
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  哌嗪 、 S-methyl-3-(4-methoxybenzylidene)dithiocarbazate 以 乙醇 为溶剂， 以69.6%的产率得到N'-[(4-methoxyphenyl)methylidene]piperazine-1-carbothiohydrazide
  参考文献：
  名称：

  Synthesis antimicrobial and anticancer activity of N′-arylmethylidene-piperazine-1-carbothiohydrazide

  摘要：

  Ten newly synthesized thiosemicarbazones of piperazine (3a-3j) were evaluated for their antibacterial and antifungal activity against non-pathogenic strains of Escherichia coli (NCIM 2068), Klebsiella pneumonia (NCIM 2957), Staphylococcus aureus (NCIM 2079), and Bacillus subtilis (NCIM 2921); pathogenic strains of Vibrio cholerae, protease, Candida albicans and Aspergillus niger. All the 10 compounds (3a-3j) were found to be better than Ciprofloxacin against B. subtilis and four molecules (3c, 3d, 3e, and 3h) against S. aureus. Compound 3j, a derivative of benzophenone, has been identified as a potent and promising candidate against C. albicans. The compounds were also evaluated for their anticancer activity against HBL-100 and HL60 cell lines. Compound 3a, a p-hydroxy benzaldehyde derivative, has been identified as a potent and promising candidate.

  DOI：

  10.1007/s00044-012-0279-4