3-butylthioisocoumarin | 1033309-41-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 3-butylthioisocoumarin
• 英文别名: 3-Butyl-1h-isochromene-1-thione；3-butylisochromene-1-thione
• CAS: 1033309-41-9
• 化学式: C₁₃H₁₄OS
• 分子量: 218.32
• InChiKey: OLWWMBFKFLBLTI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  41.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3-butylisochromen-1-one 在 劳森试剂 作用下， 以 甲苯 为溶剂， 以96%的产率得到3-butylthioisocoumarin
  参考文献：
  名称：

  Isocoumarin Thioanalogues as Potential Antibacterial Agents

  摘要：

  A series of 3-substituted-1H-isochromene-1-thiones (3) were prepared by the reaction of 3-substituted isocoumarins (2) with Lawesson's reagent in the presence of toluene under a nitrogen atmosphere. The antimicrobial activities of the newly synthesized products were measured using Gram-negative (Escherichia coli, Salmonella typhi, and Proteus mirabilis) and Gram-positive bacteria (Staphylococcus aureus and Bacillus cereus). Synthesized thioanalogue of isocoumarins showed good antibacterial activity against Proteus mirabilis.

  DOI：

  10.1080/10426500802529507

文献信息

• Isocoumarin Thioanalogues as Potential Antibacterial Agents
  作者：P. Manivel、S. Mohana Roopan、D. Prem Kumar、F. Nawaz Khan

  DOI：10.1080/10426500802529507

  日期：2009.10.13

  A series of 3-substituted-1H-isochromene-1-thiones (3) were prepared by the reaction of 3-substituted isocoumarins (2) with Lawesson's reagent in the presence of toluene under a nitrogen atmosphere. The antimicrobial activities of the newly synthesized products were measured using Gram-negative (Escherichia coli, Salmonella typhi, and Proteus mirabilis) and Gram-positive bacteria (Staphylococcus aureus and Bacillus cereus). Synthesized thioanalogue of isocoumarins showed good antibacterial activity against Proteus mirabilis.