5,5'-dipropylthio-2,2'-bithiophene

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 双噻吩和低聚噻吩
• 英文名称: 5,5'-dipropylthio-2,2'-bithiophene
• 英文别名: 2-Propylsulfanyl-5-(5-propylsulfanylthiophen-2-yl)thiophene；2-propylsulfanyl-5-(5-propylsulfanylthiophen-2-yl)thiophene
• 化学式: C₁₄H₁₈S₄
• 分子量: 314.561
• InChiKey: GQVCOUNWDIZCAB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  18
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  107
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2,2'-联二噻吩 、 二丙基二硫 在 正丁基锂 作用下， 以 乙醚 、 正己烷 为溶剂， 反应 2.0h， 生成 5,5'-dipropylthio-2,2'-bithiophene
  参考文献：
  名称：

  pi-Dimer from Bithiophene Radical Cations. Investigation of Equilibrium Constants as a Function of Substituent Size and Supporting Electrolyte Using Fast Conversion Electrochemical Cells.

  摘要：

  The procedure for the determination of second order equilibrium constants K, using spectroelectrochemistry has been re-examined. Incomplete conversion of the starting material led to non-homogeneous concentration profiles and to considerable errors in the determinations of K. Values for three dialkylthiobithiophene radical cations have been measured in which the size of the thioalkyl group and of the counter anion of the supporting electrolyte are different. Large decreases observed in both cases may suggest that the association takes the form of a sandwich of two radical cations with the counter-anion in the middle.

  DOI：

  10.3891/acta.chem.scand.53-0867

文献信息

• pi-Dimer from Bithiophene Radical Cations. Investigation of Equilibrium Constants as a Function of Substituent Size and Supporting Electrolyte Using Fast Conversion Electrochemical Cells.
  作者：Andreas Neudeck、Pierre Audebert、Laurent Guyard、Lothar Dunsch、Philippe Guiriec、Philippe Hapiot、Tatsuya Shono、H. Toftlund

  DOI：10.3891/acta.chem.scand.53-0867

  日期：——

  The procedure for the determination of second order equilibrium constants K, using spectroelectrochemistry has been re-examined. Incomplete conversion of the starting material led to non-homogeneous concentration profiles and to considerable errors in the determinations of K. Values for three dialkylthiobithiophene radical cations have been measured in which the size of the thioalkyl group and of the counter anion of the supporting electrolyte are different. Large decreases observed in both cases may suggest that the association takes the form of a sandwich of two radical cations with the counter-anion in the middle.