1,3,4-Thiadiazole-2,5-disulfenamide | 160545-21-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1,3,4-Thiadiazole-2,5-disulfenamide
• 英文别名: S-(5-aminosulfanyl-1,3,4-thiadiazol-2-yl)thiohydroxylamine
• CAS: 160545-21-1
• 化学式: C₂H₄N₄S₃
• 分子量: 180.279
• InChiKey: YUEQIUSXTGFBOD-UHFFFAOYSA-N

物化性质

• 沸点：
  442.3±28.0 °C(Predicted)
• 密度：
  1.78±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  157
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  2,5-二巯基噻二唑 在 ammonium hydroxide 、 sodium hydroxide 、 sodium hypochlorite 作用下， 生成 1,3,4-Thiadiazole-2,5-disulfenamide
  参考文献：
  名称：

  Carbonic anhydrase inhibitors: Synthesis and inhibitory properties of 1,3,4-thiadiazole-2,5-bissulfonamide

  摘要：

  1,3,4-Thiadiazole-2,5-bissulfonamide was prepared from 2,5-dimercapto-1,3,4-thiadiazole, by a modification of the reported literature procedure, ie, via the sulfenamide. This compound is the lead molecule for designing important classes of pharmacological agents, such as benzothiadiazine diuretics, and it seems to behave as a strong inhibitor of the zinc enzyme carbonic anhydrase (CA). Here we prove that the title compound is actually a weak CA inhibitor and try to explain why previous investigators obtained erroneous data.

  DOI：

  10.1016/s0223-5234(97)89847-9