6-imino-1-phenyl-4-(phenylimino)-1,3,5-triazinane-2-thione | 15989-72-7

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 6-imino-1-phenyl-4-(phenylimino)-1,3,5-triazinane-2-thione
• 英文别名: 1.4-Diphenyl-2-thioammelin；1-Phenyl-4-phenylimino-6-imino-hexahydro-1,3,5-triazin-thion-(2)；1-Phenyl-4-phenylimino-6-imino-hexahydro-1,3,5-triazin-2-thion；6-amino-4-anilino-1-phenyl-1H-[1,3,5]triazine-2-thione；6-amino-4-anilino-1-phenyl-1,3,5-triazine-2-thione
• CAS: 15989-72-7
• 化学式: C₁₅H₁₃N₅S
• 分子量: 295.368
• InChiKey: HUGWXXVQRFYRRI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.57
• 重原子数：
  21.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  72.72
• 氢给体数：
  3.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  1-氰基-2-苯基胍 、 硫代异氰酸苯酯 在 sodium methylate 作用下， 以 丙酮 为溶剂， 反应 0.07h， 以91%的产率得到6-imino-1-phenyl-4-(phenylimino)-1,3,5-triazinane-2-thione
  参考文献：
  名称：

  Synthesis and Antimicrobial Activity of 1-Aryl-4-(arylimino)-6-iminohexahydro-1,3,5-triazine-2-thione Derivatives

  摘要：

  A series of 6-imino-1-aryl-4-(arylimino)-1,3,5-triazinane-2-thione derivatives are synthesized by cyclization of 1-aryl-3-cyanoguanidine with aryl isothiocyante in the presence of sodium methoxide under MW irradiation. Structures of the synthesized compounds 3a-j are elucidated from H-1 and C-13 NMR, MS, and IR, data. The synthesized compounds are evaluated for their antimicrobial activity against B. subtilis, S. aureus, P. aeruginosa, and E. Coli. Some compounds demonstrate promising activity against the tested strains.

  DOI：

  10.1134/s1070363219040303