5-(4,5-diphenyl-4H-1,2,4-triazol-3-ylthio)-4-phenyl-4H-1,2,4-triazole-3-thiol | 1400271-88-6

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 5-(4,5-diphenyl-4H-1,2,4-triazol-3-ylthio)-4-phenyl-4H-1,2,4-triazole-3-thiol
• 英文别名: 3-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-4-phenyl-1H-1,2,4-triazole-5-thione
• CAS: 1400271-88-6
• 化学式: C₂₂H₁₆N₆S₂
• 分子量: 428.541
• InChiKey: GQATWHCFXMJZMU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  116
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  ethyl (4,5-diphenyl-4H-1,2,4-triazol-3-ylthio)formate 在 一水合肼 、 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 20.0h， 生成 5-(4,5-diphenyl-4H-1,2,4-triazol-3-ylthio)-4-phenyl-4H-1,2,4-triazole-3-thiol
  参考文献：
  名称：

  Synthesis, in vitro cytotoxicity, and antibacterial studies of new asymmetric bis-1,2,4-triazoles

  摘要：

  A series of asymmetric bis-1,2,4-triazoles (4a-l) were synthesized from respective 1,2,4-triazole-3-thiocarbohydrazides (2a, b) via base catalyzed dehydrative cyclization of thiosemicarbazide intermediates (3a-l). The synthesized compounds were characterized by IR, H-1-NMR, C-13-NMR, and Mass spectral studies. The asymmetric bis-1,2,4-triazole derivatives (4a-l) were evaluated for in vitro antioxidant activity by DPPH radical scavenging assay method. The compounds with significant antioxidant potential were evaluated for in vitro cytotoxicity by MTT assay method against HT29 (Human adenocarcinoma) and MDA-231 (Human breast cancer) cancer cell lines. All the synthesized compounds were evaluated for in vitro antibacterial activity against Bacillus subtilus (ATCC 6633), Staphylococcus aureus (ATCC-25923), Escherichia coli (ATCC-25922), and Pseudomonas aeruginosa (ATCC-27853).

  DOI：

  10.1007/s00044-012-0209-5

文献信息

• Synthesis, in vitro cytotoxicity, and antibacterial studies of new asymmetric bis-1,2,4-triazoles
  作者：Rohit Singh、Gurubasavaraj V. Pujar、Madhusudan N. Purohit、V. M. Chandrashekar

  DOI：10.1007/s00044-012-0209-5

  日期：2013.5

  A series of asymmetric bis-1,2,4-triazoles (4a-l) were synthesized from respective 1,2,4-triazole-3-thiocarbohydrazides (2a, b) via base catalyzed dehydrative cyclization of thiosemicarbazide intermediates (3a-l). The synthesized compounds were characterized by IR, H-1-NMR, C-13-NMR, and Mass spectral studies. The asymmetric bis-1,2,4-triazole derivatives (4a-l) were evaluated for in vitro antioxidant activity by DPPH radical scavenging assay method. The compounds with significant antioxidant potential were evaluated for in vitro cytotoxicity by MTT assay method against HT29 (Human adenocarcinoma) and MDA-231 (Human breast cancer) cancer cell lines. All the synthesized compounds were evaluated for in vitro antibacterial activity against Bacillus subtilus (ATCC 6633), Staphylococcus aureus (ATCC-25923), Escherichia coli (ATCC-25922), and Pseudomonas aeruginosa (ATCC-27853).