6-(hexylthio)-1-hexanethiol | 906675-05-6

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醇
• 英文名称: 6-(hexylthio)-1-hexanethiol
• 英文别名: 6-Hexylsulfanylhexane-1-thiol；6-hexylsulfanylhexane-1-thiol
• CAS: 906675-05-6
• 化学式: C₁₂H₂₆S₂
• 分子量: 234.47
• InChiKey: UMNAXAUUGOUUPD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  14
• 可旋转键数：
  11
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  26.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  6-(hexylthio)-1-hexanethiol 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 反应 121.0h， 生成 6-[6-(hexylthio)hexylthio]hexyl-trimethylammonium bromide
  参考文献：
  名称：

  Exposure of Self-Assembly Interiors to External Elements. A Kinetic Approach

  摘要：

  Five cationic surfactants, each bearing a single sulfur at various locations along their chains, were adsorbed into sodium dodecyl sulfate micelles. An oxidant, periodate, was added to the system, and the subsequent rate of thioether oxidation to sulfoxide, determined by NMR, was found to be diminished (more or less equally for all sulfur loci) by 2 orders of magnitude. In contrast, rates of hydrogen peroxide oxidation were hardly perturbed by micellization. Once again, however, there was no rate dependence on sulfur location within the chains. These results are interpreted in terms of a disordered micelle in which all chain positions have roughly equivalent access to the micelle surface. The kinetic method for assessing exposure to the external medium is applicable to self-assemblies and polymer systems wherever the NMR resolution so permits.

  DOI：

  10.1021/ja062807i
• 作为产物：
  描述：

  溴己烷 、 1,6-己二硫醇 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 反应 25.0h， 以41.7%的产率得到6-(hexylthio)-1-hexanethiol
  参考文献：
  名称：

  Exposure of Self-Assembly Interiors to External Elements. A Kinetic Approach

  摘要：

  Five cationic surfactants, each bearing a single sulfur at various locations along their chains, were adsorbed into sodium dodecyl sulfate micelles. An oxidant, periodate, was added to the system, and the subsequent rate of thioether oxidation to sulfoxide, determined by NMR, was found to be diminished (more or less equally for all sulfur loci) by 2 orders of magnitude. In contrast, rates of hydrogen peroxide oxidation were hardly perturbed by micellization. Once again, however, there was no rate dependence on sulfur location within the chains. These results are interpreted in terms of a disordered micelle in which all chain positions have roughly equivalent access to the micelle surface. The kinetic method for assessing exposure to the external medium is applicable to self-assemblies and polymer systems wherever the NMR resolution so permits.

  DOI：

  10.1021/ja062807i

文献信息

• [EN] INHIBITORS OF PROTEIN PRENYLTRANSFERASES<br/>[FR] INHIBITEURS DE PRÉNYLTRANSFÉRASES DE PROTÉINE
  申请人：UNIV CALIFORNIA

  公开号：WO2010014054A1

  公开（公告）日：2010-02-04

  The present invention is directed to novel compounds. These compounds can be useful in inhibiting the activity of protein prenyltransferases including GGTase I and/or RabGGTase. The compounds can also be used as anti-cancer therapeutics including as part of methods for treating cancer, in assays, and in kits.
• Exposure of Self-Assembly Interiors to External Elements. A Kinetic Approach
  作者：Fredric M. Menger、Lei Shi

  DOI：10.1021/ja062807i

  日期：2006.7.1

  Five cationic surfactants, each bearing a single sulfur at various locations along their chains, were adsorbed into sodium dodecyl sulfate micelles. An oxidant, periodate, was added to the system, and the subsequent rate of thioether oxidation to sulfoxide, determined by NMR, was found to be diminished (more or less equally for all sulfur loci) by 2 orders of magnitude. In contrast, rates of hydrogen peroxide oxidation were hardly perturbed by micellization. Once again, however, there was no rate dependence on sulfur location within the chains. These results are interpreted in terms of a disordered micelle in which all chain positions have roughly equivalent access to the micelle surface. The kinetic method for assessing exposure to the external medium is applicable to self-assemblies and polymer systems wherever the NMR resolution so permits.