1-(2-(1H-benzo[d][1,2,3]triazol-1-yl)-1-(4-chlorophenyl)ethylidene)thiosemicarbazide | 875759-21-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并三唑类
• 英文名称: 1-(2-(1H-benzo[d][1,2,3]triazol-1-yl)-1-(4-chlorophenyl)ethylidene)thiosemicarbazide
• 英文别名: omega-(1h-Benzotriazol-1-yl)-p-chloroacetophenone thiosemicarbazone；[[2-(benzotriazol-1-yl)-1-(4-chlorophenyl)ethylidene]amino]thiourea
• CAS: 875759-21-0
• 化学式: C₁₅H₁₃ClN₆S
• 分子量: 344.827
• InChiKey: CWZSPGWBIKPYDJ-UHFFFAOYSA-N

物化性质

• 熔点：
  157.8-159.3 °C(Solvent: Ethanol)
• 沸点：
  551.1±60.0 °C(predicted)
• 密度：
  1.48±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  113
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(2-(1H-benzo[d][1,2,3]triazol-1-yl)-1-(4-chlorophenyl)ethylidene)thiosemicarbazide 、 2-溴-4'-硝基苯乙酮 以 乙醇 为溶剂， 反应 0.25h， 以84%的产率得到1-(2-(1H-benzo[d][1,2,3]triazol-1-yl)-1-(4-chlorophenyl)ethylidene)-2-(4-(4-nitrophenyl)thiazol-2-yl)hydrazine
  参考文献：
  名称：

  Synthesis and biological evaluation of some novel thiazole substituted benzotriazole derivatives

  摘要：

  A series of novel hybrid molecules 4a-y containing thiazole and benzotriazole templates were designed and synthesized. The structures of the synthesized compounds were elucidated by IR, H-1 NMR, C-13 NMR and mass spectral data. All the synthesized compounds were tested for their antimicrobial activity (zone of inhibition) against Gram-positive, Gram-negative strains of bacteria as well as fungal strains. After that minimum inhibitory concentrations (MICs), minimum bactericidal concentrations (MBCs) and minimum fungicidal concentrations (MFCs) of all the synthesized compounds were determined. The investigation of antimicrobial screening data revealed that most of the tested compounds showed moderate to good microbial inhibitions. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.03.094
• 作为产物：
  描述：

  T406石油添加剂 在 溶剂黄146 、 三乙胺 作用下， 以 乙醇 为溶剂， 反应 1.25h， 生成 1-(2-(1H-benzo[d][1,2,3]triazol-1-yl)-1-(4-chlorophenyl)ethylidene)thiosemicarbazide
  参考文献：
  名称：

  Synthesis and biological evaluation of some novel thiazole substituted benzotriazole derivatives

  摘要：

  A series of novel hybrid molecules 4a-y containing thiazole and benzotriazole templates were designed and synthesized. The structures of the synthesized compounds were elucidated by IR, H-1 NMR, C-13 NMR and mass spectral data. All the synthesized compounds were tested for their antimicrobial activity (zone of inhibition) against Gram-positive, Gram-negative strains of bacteria as well as fungal strains. After that minimum inhibitory concentrations (MICs), minimum bactericidal concentrations (MBCs) and minimum fungicidal concentrations (MFCs) of all the synthesized compounds were determined. The investigation of antimicrobial screening data revealed that most of the tested compounds showed moderate to good microbial inhibitions. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.03.094