4-[(E)-3-phenylallylideneamino]-5-phenyl-4H-1,2,4-triazole-3-thiol

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-[(E)-3-phenylallylideneamino]-5-phenyl-4H-1,2,4-triazole-3-thiol
• 英文别名: 4-[(E)-3-phenylallylidenamino]-5-phenyl-4H-1,2,4-triazol-3-thiol；3-phenyl-4-[[(E)-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione
• 化学式: C₁₇H₁₄N₄S
• 分子量: 306.391
• InChiKey: UDTHRFOLUQLNEZ-XKBVOMFJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  72.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-[(E)-3-phenylallylideneamino]-5-phenyl-4H-1,2,4-triazole-3-thiol 、 β-环糊精 以 水 为溶剂， 以72%的产率得到
  参考文献：
  名称：

  Impact of Inclusion Complex Formation on Absorption and Emission Characteristics of Some 4-Arylidenamino-5-phenyl-4H-1,2,4-triazole-3-thiols

  摘要：

  一系列4-芳基亚胺基-5-苯基-4H-1,2,4-三氮唑-3-硫醇的包合物与β-环糊精合成。通过研究它们的物理和光谱性质，对这些化合物及其包合物进行了表征。为了解包合物的稳定性及主客体关系的类型，确定了热力学稳定常数和活化自由能。最后，使用吸收、激发和发射光谱来检查包合物形成是否对4-芳基亚胺基-5-苯基-4H-1,2,4-三氮唑-3-硫醇的吸收和发射特性产生影响。结果发现，包合物的形成导致新合成化合物的吸收、激发和发射光谱发生了剧烈变化。

  DOI：

  10.14233/ajchem.2016.19556
• 作为产物：
  描述：

  potassium 3-benzoyldithiocarbazinate 在 hydrazine hydrate 、 溶剂黄146 作用下， 以 水 为溶剂， 反应 4.17h， 生成 4-[(E)-3-phenylallylideneamino]-5-phenyl-4H-1,2,4-triazole-3-thiol
  参考文献：
  名称：

  Antibacterial, antioxidant and anthelmintic studies of inclusion complexes of some 4-arylidenamino-5-phenyl-4H-1,2,4-triazole-3-thiols

  摘要：

  A series of 4-arylidenamino-5-phenyl-4H-1,2,4-triazole-3-thiols have been synthesised and their inclusion complexes have been prepared with -cyclodextrin. The compounds and their inclusion complexes have been characterised by studying their physical and spectral properties. The thermodynamic stability constant and free energy of activation have been determined to know the stability of inclusion complexes. Finally, the compounds and their inclusion complexes are screened for antibacterial, antioxidant and anthelmintic activities. It is found that inclusion complexes of the newly synthesised compounds have appreciable stability and inclusion complex formation increases the antibacterial, antioxidant and anthelmintic activities significantly as compared to naked compound.

  DOI：

  10.1080/10610278.2015.1075533

文献信息

• Antibacterial, antioxidant and anthelmintic studies of inclusion complexes of some 4-arylidenamino-5-phenyl-4H-1,2,4-triazole-3-thiols
  作者：Sunakar Panda、Sashikanta Nayak

  DOI：10.1080/10610278.2015.1075533

  日期：2015.10.3

  A series of 4-arylidenamino-5-phenyl-4H-1,2,4-triazole-3-thiols have been synthesised and their inclusion complexes have been prepared with -cyclodextrin. The compounds and their inclusion complexes have been characterised by studying their physical and spectral properties. The thermodynamic stability constant and free energy of activation have been determined to know the stability of inclusion complexes. Finally, the compounds and their inclusion complexes are screened for antibacterial, antioxidant and anthelmintic activities. It is found that inclusion complexes of the newly synthesised compounds have appreciable stability and inclusion complex formation increases the antibacterial, antioxidant and anthelmintic activities significantly as compared to naked compound.
• Impact of Inclusion Complex Formation on Absorption and Emission Characteristics of Some 4-Arylidenamino-5-phenyl-4H-1,2,4-triazole-3-thiols
  作者：Sunakar Panda、Sashikanta Nayak、P.K. Das、D.L. Singh

  DOI：10.14233/ajchem.2016.19556

  日期：——

  The inclusion complexes of a series of 4-arylidenamino-5-phenyl-4H-1,2,4-triazole-3-thiols have been synthesized with b-cyclodextrin. The compounds and their inclusion complexes have been characterized by studying their physical and spectral properties. The thermodynamic stability constant and free energy of activation have been determined to know the stability of inclusion complexes and type of host-guest relation. Finally, the absorption, excitation and emission spectra of the compounds and their inclusion complexes have been taken to examine whether the inclusion complex formation has any impact on absoption and emission characteristics of 4-arylidenamino-5-phenyl-4H-1,2,4-triazole-3-thiols. It is found that inclusion complex formation brings about a drastic change in absorption, excitation and emission spectra of newly synthesized compounds.

  一系列4-芳基亚胺基-5-苯基-4H-1,2,4-三氮唑-3-硫醇的包合物与β-环糊精合成。通过研究它们的物理和光谱性质，对这些化合物及其包合物进行了表征。为了解包合物的稳定性及主客体关系的类型，确定了热力学稳定常数和活化自由能。最后，使用吸收、激发和发射光谱来检查包合物形成是否对4-芳基亚胺基-5-苯基-4H-1,2,4-三氮唑-3-硫醇的吸收和发射特性产生影响。结果发现，包合物的形成导致新合成化合物的吸收、激发和发射光谱发生了剧烈变化。