5-methyl-3-phenyl-thiazolo<5,4-d>pyrimidin-2,7-dithione | 141622-16-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 5-methyl-3-phenyl-thiazolo<5,4-d>pyrimidin-2,7-dithione
• 英文别名: 5-Methyl-3-phenyl-7-sulfanyl-thiazolo[4,5-d]pyrimidine-2-thione；5-methyl-3-phenyl-4H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dithione
• CAS: 141622-16-4
• 化学式: C₁₂H₉N₃S₃
• 分子量: 291.422
• InChiKey: QKEQBBKEECFJDN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  117
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-methyl-3-phenyl-thiazolo<5,4-d>pyrimidin-2,7-dithione 、 碘甲烷 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 4.0h， 以70%的产率得到5-methyl-7-methylmercapto-3-phenylthiazolo<4,5-d>pyrimidin-2(3H)-thione
  参考文献：
  名称：

  Potential anti-microbials. II. Synthesis and in vitro anti-microbial evaluation of some thiazolo[4,5-d]pyrimidines

  摘要：

  Some thiazolo[4,5-d]pyrimidines were prepared in order to investigate their antimicrobial activity. A significant inhibitory effect was recorded for many compounds against Staphylococcus aureus ATCC 25923 (3, 6, 9a; MIC = 10-20 mug/ml), Escherichia coli ATCC 25922 (3,5,9b, MIC = 40 mug/ml) and Candida albicans DSM 70443 (6, MIC = 50 mug/ml).

  DOI：

  10.1016/0223-5234(93)90002-v
• 作为产物：
  描述：

  4-amino-3-phenyl-2,3-dihydro-2-thioxothiazole-5-carboximide 在 tetraphosphorus decasulfide 作用下， 以 xylene 为溶剂， 反应 8.0h， 生成 5-methyl-3-phenyl-thiazolo<5,4-d>pyrimidin-2,7-dithione
  参考文献：
  名称：

  Potential anti-microbials. II. Synthesis and in vitro anti-microbial evaluation of some thiazolo[4,5-d]pyrimidines

  摘要：

  Some thiazolo[4,5-d]pyrimidines were prepared in order to investigate their antimicrobial activity. A significant inhibitory effect was recorded for many compounds against Staphylococcus aureus ATCC 25923 (3, 6, 9a; MIC = 10-20 mug/ml), Escherichia coli ATCC 25922 (3,5,9b, MIC = 40 mug/ml) and Candida albicans DSM 70443 (6, MIC = 50 mug/ml).

  DOI：

  10.1016/0223-5234(93)90002-v

文献信息

• El-Dean, Adel M. Kamal, Phosphorus, Sulfur and Silicon and the Related Elements, 1992, vol. 66, # 14, p. 21 - 28
  作者：El-Dean, Adel M. Kamal

  DOI：——

  日期：——