N,N’-bis(5-((4-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)methane diamine | 53151-30-7

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: N,N’-bis(5-((4-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)methane diamine
• 英文别名: N,N'-bis[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]methanediamine
• CAS: 53151-30-7
• 化学式: C₁₉H₁₆Cl₂N₆S₄
• 分子量: 527.546
• InChiKey: MMJRIVNAOWSZFZ-UHFFFAOYSA-N

物化性质

• 熔点：
  148-150 °C
• 沸点：
  705.2±70.0 °C(predicted)
• 密度：
  1.58±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  31
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  183
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  4-氯氯苄 、 叶枯唑 在 potassium hydroxide 作用下， 以 乙醇 为溶剂， 反应 8.0h， 以58%的产率得到N,N’-bis(5-((4-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)methane diamine
  参考文献：
  名称：

  Synthesis and Antibacterial Activity of Bisthioether Derivatives Containing a 1,3,4-Thiadiazoles Moiety

  摘要：

  A series of bisthioether derivatives containing 1,3,4-thiadiazole moieties were designed and synthesized. All of the synthesized compounds were confirmed by H-1-NMR, C-13-NMR, IR, and elemental analysis. The antibacterial activities of bisthioether derivatives against Ralstonia solanacearum were evaluated in vivo; the results indicated that the synthesized compounds showed good antibacterial activity against R. solanacearum at 200mg/L. In particular, the activity of compound 3m was up to 73% at 100mg/L. Supplemental materials are available for this article. Go to the publisher's online edition of Phosphorus, Sulfur, and Silicon and the Related Elements to view the free supplemental file.

  DOI：

  10.1080/10426507.2013.798789