4-[2-chlorobenzylidenamino]-5-phenyl-4H-1,2,4-triazol-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-[2-chlorobenzylidenamino]-5-phenyl-4H-1,2,4-triazol-3-thiol
• 英文别名: 4-[(2-chlorophenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione
• 化学式: C₁₅H₁₁ClN₄S
• 分子量: 314.798
• InChiKey: VXXVXKRZFRXARN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  21
• 可旋转键数：
  3
• 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-[2-chlorobenzylidenamino]-5-phenyl-4H-1,2,4-triazol-3-thiol 、 β-环糊精 以 水 为溶剂， 以77%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 溶剂黄146 、 肼 作用下， 生成 4-[2-chlorobenzylidenamino]-5-phenyl-4H-1,2,4-triazol-3-thiol
  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

文献信息

• Efficient synthesis and antimicrobial activity of some novel S-β-d-glucosides of 5-aryl-1,2,4-triazole-3-thiones derivatives
  作者：Dan Ji、JunRui Lu、BoWei Lu、ChunWei Xin、JiangBei Mu、JianFa Li、ChunYong Peng、XiuRong Bao

  DOI：10.1016/j.bmcl.2013.02.038

  日期：2013.4

  A series of 3-S-beta-D-glucosides-4-arylideneamino-5-aryl-1,2,4-triazoles were rationally designed and synthesized according to the principle of superposition of bioactive substructures by the combination of 1,2,4-triazole, Schiff base and glucosides. The structures of the target compounds have been characterized by H-1 NMR, C-13 NMR, IR, MS and HRMS. All the newly synthesized compounds have been evaluated for their antimicrobial activities in vitro against Staphylococcus aureus (ATCC 6538), Escherichia coli (ATCC 8099) as well as Monilia albican (ATCC 10231). The bioactive assay showed that most of the tested compounds displayed variable inhibitory effects on the growth of the Gram-positive bacterial strain (Staphylococcus aureus), Gram-negative bacterial strains (Escherichia coli) and fungal strains (Monilia albican). All the target compounds exhibited better antifungal activity than antibacterial activity. Especially, compounds 6b, 6c, 6f, 6j, 6k and 6l showed excellent activity against fungus Monilia albican with MIC values of 16 mu g/mL. (C) 2013 Elsevier Ltd. All rights reserved.
• 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。