T2T-2H*DDQH2 | 1321204-53-8

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 芳基卤化物
• 英文名称: T2T-2H*DDQH2
• CAS: 1321204-53-8
• 化学式: C₃H₃NS₂*C₈H₂Cl₂N₂O₂
• 分子量: 346.218
• InChiKey: YBQBLMWERCOIJJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.95
• 重原子数：
  20.0
• 可旋转键数：
  0.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  103.83
• 氢给体数：
  3.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  2-巯基噻唑啉 、 2,3-二氯-5,6-二氰基-1,4-苯醌 以 二氯甲烷 为溶剂， 反应 0.5h， 生成 T2T-2H*DDQH2
  参考文献：
  名称：

  Multiple and sequential charge transfer interactions occurring in situ: A redox reaction of thiazolidine-2-thione with 2,3-dichloro-5,6-dicyano-1,4-benzoquinone

  摘要：

  Interaction of thiazolidine-2-thione (T2T) as an electron donor with 2,3-dichloro-5,6-dicyano-1,4-benzoquinone (DDQ) as an electron pi-acceptor has been studied. Electronic absorption spectra of the system T2T-DDQ in several organic solvents of different polarities have been measured. A charge transfer (CT) complexation has occurred between T2T and DDQ This CT interaction has led to a redox reaction in which T2T has been oxidized to the corresponding dehydrogenated T2T (T2T-2H), meanwhile DDQ has been fully reduced to the corresponding hydroquinone (DDQH(2)). However, the two new species, resulting in situ, have been interacted, whereas a CT complex having the formula (T2T-2H.DDQH(2)) has occurred. IR. H-1 NMR and mass spectra were used for ascertaining the structural formula of the synthesized CT complex. Formation constants (K-CT), molar absorption coefficients (epsilon(CT)) and thermodynamic properties of this CT interaction in various organic solvents were determined and discussed. The obtained K-CT and epsilon(CT) values have indicated that T2T-2H is a weak CT donor, whereas the formed CT complex has a low stability and it is classified as a contact-type CT complex. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2011.04.078