3-cyclohexyl-1H-isochromene-1-thione | 1207341-26-1

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 3-cyclohexyl-1H-isochromene-1-thione
• 英文别名: 3-cyclohexylisochromene-1-thione
• CAS: 1207341-26-1
• 化学式: C₁₅H₁₆OS
• 分子量: 244.357
• InChiKey: YXZMXYOGNNBESL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 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-cyclohexyl-1H-isochromen-1-one 在 劳森试剂 作用下， 以 甲苯 为溶剂， 以87%的产率得到3-cyclohexyl-1H-isochromene-1-thione
  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

• Synthesis and Antiproliferative Activity of Some 1H-Isochromen-1-ones and Their Thio Analogues
  作者：P. Manivel、Ashok Sharma、T. Maiyalagan、M. R. Rajeswari、F. Nawaz Khan

  DOI：10.1080/10426500902797608

  日期：2010.1.29

  A series of 1H-isochromen-1-one derivatives and their thio analogues were synthesized by thionation using Lawesson's reagent for evaluation of their cytotoxic effect on cancer cells. The effect of these derivatives was tested on the growth of human epidermoid carcinoma A431 cell line by MTT [3-(4, 5-dimethylthiazol-2-yl)-2, 5-diphenyltetrazolium bromide] colorimetric assay. MTT assay revealed that these new compounds are potent inhibitors of cell growth. Supplemental materials are available for this article. Go to the publisher's online edition of Phosphorus, Sulfur, and Silicon and the Related Elements to view the free supplemental file.