5-Methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine-7-thiol

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三唑并嘧啶类
• 英文名称: 5-Methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine-7-thiol
• 英文别名: 5-methyl-2-methylsulfanyl-1H-[1,2,4]triazolo[1,5-a]pyrimidine-7-thione
• 化学式: C₇H₈N₄S₂
• 分子量: 212.299
• InChiKey: BGFHHNWDIVEZJU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  97.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-氨基-5-甲硫基-1H-1,2,4-三唑 、 丁硫代酰胺,3-羰基-N-苯基- 以 溶剂黄146 为溶剂， 反应 5.0h， 以14%的产率得到5-methyl-2-methylsulfanyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
  参考文献：
  名称：

  Reaction of 3-oxo-N-phenylbutanethioamide with 5-amino-1H-1,2,4-triazoles

  摘要：

  Reactions of 3-oxo-N-phenylbutanethioamide with 3-substituted 5-amino-1H-1,2,4-triazoles in acetic acid led to the formation of 5-methyl-7,8-dihydro[1,2,4]triazolo[1.5-a]pyrimidine-7-thiones, 7-methyl5,8-dihydro[1,2,4]triazolo[1,5-alpyrimidine-5-thiones and 7-methyl-5-phenylamino[1,2,4]triazolo[1,5-a]pyrimidines. The structure of the products was proved by the H-1 and C-13 NMR spectra, X-ray diffraction data, and chemical transformations.

  DOI：

  10.1134/s1070428006100216

文献信息

• Reaction of 3-oxo-N-phenylbutanethioamide with 5-amino-1H-1,2,4-triazoles
  作者：V. N. Britsun、A. N. Borisevich、L. S. Samoilenko、A. N. Chernega、M. O. Lozinskii

  DOI：10.1134/s1070428006100216

  日期：2006.10

  Reactions of 3-oxo-N-phenylbutanethioamide with 3-substituted 5-amino-1H-1,2,4-triazoles in acetic acid led to the formation of 5-methyl-7,8-dihydro[1,2,4]triazolo[1.5-a]pyrimidine-7-thiones, 7-methyl5,8-dihydro[1,2,4]triazolo[1,5-alpyrimidine-5-thiones and 7-methyl-5-phenylamino[1,2,4]triazolo[1,5-a]pyrimidines. The structure of the products was proved by the H-1 and C-13 NMR spectra, X-ray diffraction data, and chemical transformations.