3-(2-bromoethyl)-5-ethyl-1,3,4-thiadiazole-2-imine hydrobromide | 1185844-46-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-(2-bromoethyl)-5-ethyl-1,3,4-thiadiazole-2-imine hydrobromide
• 英文别名: 3-(2-Bromoethyl)-5-ethyl-1,3,4-thiadiazol-2-imine;hydrobromide
• CAS: 1185844-46-5
• 化学式: BrH*C₆H₁₀BrN₃S
• 分子量: 317.047
• InChiKey: IDJXLHJKJOWMSY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.96
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  64.8
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(2-bromoethyl)-5-ethyl-1,3,4-thiadiazole-2-imine hydrobromide 在 lithium thiophosphate pentahydrate 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 以32%的产率得到S-(2-(2-imino-5-ethyl-1,3,4-thiadiazol)ethyl) lithium hydrogen phosphorothioate
  参考文献：
  名称：

  Synthesis, antioxidant properties and radioprotective effects of new benzothiazoles and thiadiazoles

  摘要：

  In this work, we report the synthesis and characterization of new compounds derived from benzothiazoles and thiadiazoles. We observed that structural modi. cations on these skeletons affected the antioxidant activity. Thiol and aminothiol compounds derived from thiadiazoles and benzothiazoles showed an interesting antioxidant property. The radioprotective activity has also been evaluated in mice. Some of these compounds could be good radioprotectors. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2009.05.039
• 作为产物：
  描述：

  2-(2-imino-5-ethyl-1,3,4-thiadiazol-3-yl)ethanol hydrobromide 在 二溴亚砜 作用下， 以 乙腈 为溶剂， 以30%的产率得到3-(2-bromoethyl)-5-ethyl-1,3,4-thiadiazole-2-imine hydrobromide
  参考文献：
  名称：

  Synthesis, antioxidant properties and radioprotective effects of new benzothiazoles and thiadiazoles

  摘要：

  In this work, we report the synthesis and characterization of new compounds derived from benzothiazoles and thiadiazoles. We observed that structural modi. cations on these skeletons affected the antioxidant activity. Thiol and aminothiol compounds derived from thiadiazoles and benzothiazoles showed an interesting antioxidant property. The radioprotective activity has also been evaluated in mice. Some of these compounds could be good radioprotectors. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2009.05.039