1-Ethyl-3-n-octylthiomethylimidazoliniumchlorid | 68279-01-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-Ethyl-3-n-octylthiomethylimidazoliniumchlorid
• 英文别名: 1-Ethyl-3-(octylsulfanylmethyl)imidazol-3-ium;chloride
• CAS: 68279-01-6
• 化学式: C₁₄H₂₇N₂S*Cl
• 分子量: 290.901
• InChiKey: XCUGNLXKGUFJJA-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.85
• 重原子数：
  18
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1-乙基咪唑 、 chloromethyl octyl sulfide 以 苯 为溶剂， 反应 4.0h， 以90%的产率得到1-Ethyl-3-n-octylthiomethylimidazoliniumchlorid
  参考文献：
  名称：

  3-Alkylthiomethyl-1-ethylimidazolium chlorides. Correlation between critical micelle concentrations and minimum inhibitory concentrations

  摘要：

  3-Alkylthiomethyl-1-ethylimidazolium chlorides were prepared in high yield via an S(N)1 reaction. The critical micelle concentration (CMC) values of studied chlorides were determined by surface tensiometry and the hydrophobicity index (HI) was calculated. The minimum inhibitory concentration (MIC) against various microorganisms such as cocci, rods, fungi and bacilli was studied. The quantitative relationship between the MIC, the CMC and the HI was calculated.

  DOI：

  10.1016/s0223-5234(97)89853-4

文献信息

• Pernak; Kucharski; Krysinski, Pharmazie, 1983, vol. 38, # 11, p. 752 - 754
  作者：Pernak、Kucharski、Krysinski

  DOI：——

  日期：——
• 3-Alkylthiomethyl-1-ethylimidazolium chlorides. Correlation between critical micelle concentrations and minimum inhibitory concentrations
  作者：J Pernak、A Skrzypczak

  DOI：10.1016/s0223-5234(97)89853-4

  日期：1996.1

  3-Alkylthiomethyl-1-ethylimidazolium chlorides were prepared in high yield via an S(N)1 reaction. The critical micelle concentration (CMC) values of studied chlorides were determined by surface tensiometry and the hydrophobicity index (HI) was calculated. The minimum inhibitory concentration (MIC) against various microorganisms such as cocci, rods, fungi and bacilli was studied. The quantitative relationship between the MIC, the CMC and the HI was calculated.