3-(o-Tolyl)-6-phenyl-5-sulfanyl-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one | 151993-61-2

• 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-(o-Tolyl)-6-phenyl-5-sulfanyl-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one
• 英文别名: 3-(2-methylphenyl)-6-phenyl-2,5-bis(sulfanylidene)-4H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
• CAS: 151993-61-2
• 化学式: C₁₈H₁₃N₃OS₃
• mdl: MFCD15090515
• 分子量: 383.519
• InChiKey: IPFSFRDCNQZIQA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  125
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  碘乙烷 、 3-(o-Tolyl)-6-phenyl-5-sulfanyl-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 4.0h， 以83%的产率得到2,3-dihydro-5-ethylmercapto-6-phenyl-2-thioxo-3-(2-tolyl)-thiazolo<4,5-d>pyrimidin-7(6H)-one
  参考文献：
  名称：

  Potential anti-microbials. I. Synthesis and structure-activity studies of some new thiazolo[4,5-d]pyrimidine derivatives

  摘要：

  The synthesis of several 2,3-dihydro-3,6-diaryl-5-mercapto-2-thioxothiazolo[4,5-d]pyrimidin-7(6H)-ones and related compounds are discussed. Some members of the series displayed broad in vitro anti-bacterial and anti-fungal activities. Three compounds were screened for anti-HIV potency but were inactive.

  DOI：

  10.1016/0223-5234(93)90001-u
• 作为产物：
  描述：

  邻甲苯异硫氰酸酯 在 potassium carbonate 、 sulfur 作用下， 以 乙腈 为溶剂， 反应 15.0h， 生成 3-(o-Tolyl)-6-phenyl-5-sulfanyl-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one
  参考文献：
  名称：

  Potential anti-microbials. I. Synthesis and structure-activity studies of some new thiazolo[4,5-d]pyrimidine derivatives

  摘要：

  The synthesis of several 2,3-dihydro-3,6-diaryl-5-mercapto-2-thioxothiazolo[4,5-d]pyrimidin-7(6H)-ones and related compounds are discussed. Some members of the series displayed broad in vitro anti-bacterial and anti-fungal activities. Three compounds were screened for anti-HIV potency but were inactive.

  DOI：

  10.1016/0223-5234(93)90001-u

文献信息

• Potential anti-microbials. I. Synthesis and structure-activity studies of some new thiazolo[4,5-d]pyrimidine derivatives
  作者：ESAM Badawey、SM Rida、AA Hazza、HTY Fahmy、YM Gohar

  DOI：10.1016/0223-5234(93)90001-u

  日期：1993.1

  The synthesis of several 2,3-dihydro-3,6-diaryl-5-mercapto-2-thioxothiazolo[4,5-d]pyrimidin-7(6H)-ones and related compounds are discussed. Some members of the series displayed broad in vitro anti-bacterial and anti-fungal activities. Three compounds were screened for anti-HIV potency but were inactive.