3-Phenyl-2,5-dithioxo-2,3,5,6-tetrahydrothiazolo[4,5-d]pyrimidin-7(4H)-one | 189895-61-2

• 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: 3-Phenyl-2,5-dithioxo-2,3,5,6-tetrahydrothiazolo[4,5-d]pyrimidin-7(4H)-one
• 英文别名: 3-phenyl-2,5-bis(sulfanylidene)-4H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
• CAS: 189895-61-2
• 化学式: C₁₁H₇N₃OS₃
• 分子量: 293.394
• InChiKey: VNBOMQWABBZKEZ-UHFFFAOYSA-N

物化性质

• 密度：
  1.71±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  134
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-Phenyl-2,5-dithioxo-2,3,5,6-tetrahydrothiazolo[4,5-d]pyrimidin-7(4H)-one 在 五氯化磷 作用下， 以 三氯氧磷 为溶剂， 反应 5.0h， 以60%的产率得到5,7-Dichloro-3-phenyl[1,3]thiazolo[4,5-d]pyrimidine-2(3H)-thione
  参考文献：
  名称：

  Condensed thiazoles, I: Synthesis of 5,7-disubstituted thiazolo[4,5-d]pyrimidines as possible anti-HIV, anticancer, and antimicrobial agents

  摘要：

  A convenient and simple synthesis of 5-mercapto-3-phenyl-2-thioxo-2,3-dihydrothiazolo-[4,5-d]pyrimidin-7(6H)-one (2) and its 5,7-dichloro (3), 5,7-diazido (4), 5,7-diamino (5), 5,7-dimerapto (6), 5,7-dimethylthio (7), and 6-methyl-5-methylthio (8) derivatives is described. The prepared compounds were screened for their in vitro anti-HIV, anticancer, antibacterial, and antifungal activities.

  DOI：

  10.1007/bf00844696
• 作为产物：
  描述：

  二硫化碳 、 4-amino-3-phenyl-2,3-dihydro-2-thioxothiazole-5-carboximide 在 sodium hydroxide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 5.0h， 以60%的产率得到3-Phenyl-2,5-dithioxo-2,3,5,6-tetrahydrothiazolo[4,5-d]pyrimidin-7(4H)-one
  参考文献：
  名称：

  Condensed thiazoles, I: Synthesis of 5,7-disubstituted thiazolo[4,5-d]pyrimidines as possible anti-HIV, anticancer, and antimicrobial agents

  摘要：

  A convenient and simple synthesis of 5-mercapto-3-phenyl-2-thioxo-2,3-dihydrothiazolo-[4,5-d]pyrimidin-7(6H)-one (2) and its 5,7-dichloro (3), 5,7-diazido (4), 5,7-diamino (5), 5,7-dimerapto (6), 5,7-dimethylthio (7), and 6-methyl-5-methylthio (8) derivatives is described. The prepared compounds were screened for their in vitro anti-HIV, anticancer, antibacterial, and antifungal activities.

  DOI：

  10.1007/bf00844696

文献信息

• Condensed thiazoles, I: Synthesis of 5,7-disubstituted thiazolo[4,5-d]pyrimidines as possible anti-HIV, anticancer, and antimicrobial agents
  作者：N. S. Habib、S. M. Rida、E. A. M. Badawey、H. T. Y. Fahmy

  DOI：10.1007/bf00844696

  日期：1996.11

  A convenient and simple synthesis of 5-mercapto-3-phenyl-2-thioxo-2,3-dihydrothiazolo-[4,5-d]pyrimidin-7(6H)-one (2) and its 5,7-dichloro (3), 5,7-diazido (4), 5,7-diamino (5), 5,7-dimerapto (6), 5,7-dimethylthio (7), and 6-methyl-5-methylthio (8) derivatives is described. The prepared compounds were screened for their in vitro anti-HIV, anticancer, antibacterial, and antifungal activities.