N,N’-bis(5-((3-methoxybenzyl)thio)-1,3,4-thiadiazol-2-yl)methane diamine | 1516888-75-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: N,N’-bis(5-((3-methoxybenzyl)thio)-1,3,4-thiadiazol-2-yl)methane diamine
• 英文别名: N,N'-bis[5-[(3-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]methanediamine
• CAS: 1516888-75-7
• 化学式: C₂₁H₂₂N₆O₂S₄
• 分子量: 518.709
• InChiKey: BOFGXFXYLGUUMP-UHFFFAOYSA-N

物化性质

• 熔点：
  145-147 °C
• 沸点：
  717.1±70.0 °C(predicted)
• 密度：
  1.45±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  33
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  201
• 氢给体数：
  2
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  3-甲氧基氯苄 、 叶枯唑 在 potassium hydroxide 作用下， 以 乙醇 为溶剂， 反应 8.0h， 以68%的产率得到N,N’-bis(5-((3-methoxybenzyl)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

文献信息

• Synthesis and Antibacterial Activity of Bisthioether Derivatives Containing a 1,3,4-Thiadiazoles Moiety
  作者：Xuehai Chen、Juan Yin、Pei Li、Ming He、Linhong Jin、Jian Wu、Song Yang、Deyu Hu

  DOI：10.1080/10426507.2013.798789

  日期：2014.1

  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.