3-(4-methyl-1,2,3-thiadiazol-5-yl)-1H-1,2,4-triazole-5-thiol | 1216123-01-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-(4-methyl-1,2,3-thiadiazol-5-yl)-1H-1,2,4-triazole-5-thiol
• 英文别名: 5-(4-Methylthiadiazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione
• CAS: 1216123-01-1
• 化学式: C₅H₅N₅S₂
• 分子量: 199.26
• InChiKey: DCGFSHFJWDMCMM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.92
• 重原子数：
  12.0
• 可旋转键数：
  1.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  67.35
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  3-(4-methyl-1,2,3-thiadiazol-5-yl)-1H-1,2,4-triazole-5-thiol 在 4-二甲氨基吡啶 、 potassium carbonate 、 三乙胺 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 3.0h， 生成 ethyl2-((1-(2-methoxybenzoyl)-3-(4-methyl-1,2,3-thiadiazol-5-yl)-1H-1,2,4-triazol-5-yl)thio)acetate
  参考文献：
  名称：

  Synthesis and biological evaluation of novel 1,2,4-triazole containing 1,2,3-thiadiazole derivatives

  摘要：

  A series of novel 1,2,4-triazoles containing 1,2,3-thiadiazole derivatives were designed and synthesized. Their structures were confirmed by melting points, IR, H-1 NMR, and elemental analysis and ESI-MS or HRMS. Preliminary bioassays indicated that these compounds exhibited very good insecticidal activity against Aphis laburni at 100 mu g/mL, with mortality no less than 95%. Compounds 6a, 6c, 6f, 6l showed higher curative activity against TMV and compound 6h showed a higher induction effects against TMV in vivo at 100 mu g/mL. Collectively, our data demonstrate a new strategy for control of insects and viruses. (C) 2013 Zhi-Jin Fan. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2013.06.024
• 作为产物：
  描述：

  N-(Carbamothioylamino)-4-methyl-1,2,3-thiadiazole-5-carboxamide 在 盐酸 、 sodium hydroxide 作用下， 以 水 为溶剂， 反应 5.0h， 生成 3-(4-methyl-1,2,3-thiadiazol-5-yl)-1H-1,2,4-triazole-5-thiol
  参考文献：
  名称：

  Synthesis and biological evaluation of novel 1,2,4-triazole containing 1,2,3-thiadiazole derivatives

  摘要：

  A series of novel 1,2,4-triazoles containing 1,2,3-thiadiazole derivatives were designed and synthesized. Their structures were confirmed by melting points, IR, H-1 NMR, and elemental analysis and ESI-MS or HRMS. Preliminary bioassays indicated that these compounds exhibited very good insecticidal activity against Aphis laburni at 100 mu g/mL, with mortality no less than 95%. Compounds 6a, 6c, 6f, 6l showed higher curative activity against TMV and compound 6h showed a higher induction effects against TMV in vivo at 100 mu g/mL. Collectively, our data demonstrate a new strategy for control of insects and viruses. (C) 2013 Zhi-Jin Fan. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2013.06.024