| 1293410-22-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 1293410-22-6
• 化学式: C₁₂H₂₄O₄S₂
• 分子量: 296.452
• InChiKey: VQCYNNBOFURVGT-WAYWQWQTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.72
• 重原子数：
  18.0
• 可旋转键数：
  12.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  58.92
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  乙醇 、 2-[[(Z)-2-(oxiran-2-ylmethylsulfanyl)ethenyl]sulfanylmethyl]oxirane 、 disodium cis-ethene-1,2-dithiolate 以 乙腈 为溶剂， 反应 48.0h， 以19%的产率得到
  参考文献：
  名称：

  Synthesis and structures of partially unsaturated thiacrown ethers with hydroxyl groups

  摘要：

  Partially unsaturated 14- and 28-membered thiacrown ethers possessing hydroxyl groups were synthesised. The crystal structures of some geometrical isomers of the macrocycles were determined by X-ray crystallographic analysis and six oxygen atoms of the 14-membered trans-thiacrown ether were found to gather through hydrogen bonds in the crystalline state. The redox behaviours of the 14-membered thiacrown ethers were examined and the Z,E-isomerisation reactions were found to occur upon heating.

  DOI：

  10.1080/10610278.2010.510561