1,2-二氢-5-(巯基甲基)-3H-1,2,4-三唑-3-酮 | 23968-85-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 1,2-二氢-5-(巯基甲基)-3H-1,2,4-三唑-3-酮
• 英文名称: 3-Mercaptomethyl-1,2,4-Δ³-triazolin-5-on
• 英文别名: 5-Mercaptomethyl-1,2,4-triazol-3-on；5-mercaptomethyl-1,2-dihydro-[1,2,4]triazol-3-one；3H-1,2,4-Triazol-3-one, 1,2-dihydro-5-(mercaptomethyl)-；3-(sulfanylmethyl)-1,4-dihydro-1,2,4-triazol-5-one
• CAS: 23968-85-6
• 化学式: C₃H₅N₃OS
• mdl: MFCD00226000
• 分子量: 131.158
• InChiKey: VVVKMBYFOGNRRU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  8
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  54.5
• 氢给体数：
  3
• 氢受体数：
  3

安全信息

• 海关编码：
  2933990090

反应信息

• 作为产物：
  描述：

  2-Mercaptomethyl-1,3,4-oxadiazolin-5-one 在 formamide 作用下， 反应 3.0h， 以80%的产率得到1,2-二氢-5-(巯基甲基)-3H-1,2,4-三唑-3-酮
  参考文献：
  名称：

  Synthese und Reaktionen von 2-Mercaptomethyl-1,3,4-oxadiazolin-5-on

  摘要：

  The title compound (4) was synthesized from thioglycolic acid hydrazide and ethyl chloroformate. The reactions of 4 with aromatic amines, amino derivatives, hydrazine hydrate, hydroxylamine, and formamide were studied. Addition of compound 4 to alpha,beta-unsaturated compounds, i.e. chalcones, maleic anhydride, quinones, and acrylonitrile, was investigated.

  DOI：

  10.1007/bf00807080

文献信息

• Synthese und Reaktionen von 2-Mercaptomethyl-1,3,4-oxadiazolin-5-on
  作者：M. M. Hamad、S. A. Said、Y. M. El-Ekyabi

  DOI：10.1007/bf00807080

  日期：1996.5

  The title compound (4) was synthesized from thioglycolic acid hydrazide and ethyl chloroformate. The reactions of 4 with aromatic amines, amino derivatives, hydrazine hydrate, hydroxylamine, and formamide were studied. Addition of compound 4 to alpha,beta-unsaturated compounds, i.e. chalcones, maleic anhydride, quinones, and acrylonitrile, was investigated.