1-(6a-mercaptohexyl)thymine | 956287-50-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 1-(6a-mercaptohexyl)thymine
• 英文别名: 1-(6-mercaptohexyl)thymine；5-Methyl-1-(6-sulfanylhexyl)pyrimidine-2,4-dione
• CAS: 956287-50-6
• 化学式: C₁₁H₁₈N₂O₂S
• 分子量: 242.342
• InChiKey: TWCDIDJFLZKYLT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  50.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  、 1-(6a-mercaptohexyl)thymine 在 2,2-二羟甲基丙酸 作用下， 生成 N-[6-acetamido-4-[8-[6-(5-methyl-2,4-dioxopyrimidin-1-yl)hexylsulfanyl]octoxy]pyridin-2-yl]acetamide
  参考文献：
  名称：

  Glassy dynamics of hydrogen-bonded heteroditopic molecules

  摘要：

  A self-complementary heteroditopic molecule composed of thymine and diamidopyridine end groups and a flexible aliphatic interconnecting chain has been synthesized. The glassy dynamics of this hydrogen-bonded supramolecule have been investigated by using dielectric and rheological measurements, in combination with infra-red spectroscopy and solid-state C-13 NMR experiments. Decoupling of main dielectric relaxation from viscosity has been found in the vicinity of the glass transition and the temperature dependence of viscosity appears to be stronger than that of dielectric relaxation. The unusual dynamic decoupling phenomenon is ascribed to the chemical/dynamic heterogeneity and formation of hydrogen bonds in the supramolecules. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.polymer.2012.07.052
• 作为产物：
  描述：

  在 氯化铵 、 potassium hydroxide 作用下， 生成 1-(6a-mercaptohexyl)thymine
  参考文献：
  名称：

  Glassy dynamics of hydrogen-bonded heteroditopic molecules

  摘要：

  A self-complementary heteroditopic molecule composed of thymine and diamidopyridine end groups and a flexible aliphatic interconnecting chain has been synthesized. The glassy dynamics of this hydrogen-bonded supramolecule have been investigated by using dielectric and rheological measurements, in combination with infra-red spectroscopy and solid-state C-13 NMR experiments. Decoupling of main dielectric relaxation from viscosity has been found in the vicinity of the glass transition and the temperature dependence of viscosity appears to be stronger than that of dielectric relaxation. The unusual dynamic decoupling phenomenon is ascribed to the chemical/dynamic heterogeneity and formation of hydrogen bonds in the supramolecules. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.polymer.2012.07.052