1-(4-Butyl-5-thioxo-4,5-dihydro-1H-[1,2,4]triazol-3-yl)-3-methylsulfanyl-6,7-dihydro-5H-benzo[c]thiophen-4-one | 848127-21-9

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 1-(4-Butyl-5-thioxo-4,5-dihydro-1H-[1,2,4]triazol-3-yl)-3-methylsulfanyl-6,7-dihydro-5H-benzo[c]thiophen-4-one
• 英文别名: 1-(4-butyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-3-methylsulfanyl-6,7-dihydro-5H-2-benzothiophen-4-one
• CAS: 848127-21-9
• 化学式: C₁₅H₁₉N₃OS₃
• 分子量: 353.533
• InChiKey: HESULBSXMJWVEC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  130
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  碘甲烷 、 1-(4-Butyl-5-thioxo-4,5-dihydro-1H-[1,2,4]triazol-3-yl)-3-methylsulfanyl-6,7-dihydro-5H-benzo[c]thiophen-4-one 以 alkaline aq. solution 为溶剂， 生成 1-(4-Butyl-5-methylsulfanyl-4H-[1,2,4]triazol-3-yl)-3-methylsulfanyl-6,7-dihydro-5H-benzo[c]thiophen-4-one
  参考文献：
  名称：

  Synthesis and antibacterial activity of 1-[1,2,4-triazol-3-yl] and 1-[1,3,4-thiadiazol-2-yl]-3-methylthio-6,7-dihydrobenzo[c]thiophen-4(5H)ones

  摘要：

  A series of 1-[1,2,4-triazol-3-yl] and 1-[1,3,4-thiadiazol-2-yl]-3-methylthio-6,7-dihydrobenzo[c]thiophen-4(5H)ones were synthesized and tested to demonstrate in vitro antimicrobial activity. Some of these compounds exhibited a good activity against Staphylococcus aureus, S. epidermidis and Bacillus subtilis. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.12.039
• 作为产物：
  描述：

  3-(甲基硫代)-4-氧代-4,5,6,7-四氢苯并[c]噻吩-1-羧酸乙酯 在 碳酸氢钠 、 一水合肼 作用下， 以 alkaline aq. solution 为溶剂， 生成 1-(4-Butyl-5-thioxo-4,5-dihydro-1H-[1,2,4]triazol-3-yl)-3-methylsulfanyl-6,7-dihydro-5H-benzo[c]thiophen-4-one
  参考文献：
  名称：

  Synthesis and antibacterial activity of 1-[1,2,4-triazol-3-yl] and 1-[1,3,4-thiadiazol-2-yl]-3-methylthio-6,7-dihydrobenzo[c]thiophen-4(5H)ones

  摘要：

  A series of 1-[1,2,4-triazol-3-yl] and 1-[1,3,4-thiadiazol-2-yl]-3-methylthio-6,7-dihydrobenzo[c]thiophen-4(5H)ones were synthesized and tested to demonstrate in vitro antimicrobial activity. Some of these compounds exhibited a good activity against Staphylococcus aureus, S. epidermidis and Bacillus subtilis. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.12.039

文献信息

• Synthesis and antibacterial activity of 1-[1,2,4-triazol-3-yl] and 1-[1,3,4-thiadiazol-2-yl]-3-methylthio-6,7-dihydrobenzo[c]thiophen-4(5H)ones
  作者：Sara Tehranchian、Tahmineh Akbarzadeh、Mohammad Reza Fazeli、Hossein Jamalifar、Abbas Shafiee

  DOI：10.1016/j.bmcl.2004.12.039

  日期：2005.2

  A series of 1-[1,2,4-triazol-3-yl] and 1-[1,3,4-thiadiazol-2-yl]-3-methylthio-6,7-dihydrobenzo[c]thiophen-4(5H)ones were synthesized and tested to demonstrate in vitro antimicrobial activity. Some of these compounds exhibited a good activity against Staphylococcus aureus, S. epidermidis and Bacillus subtilis. (C) 2004 Elsevier Ltd. All rights reserved.