4,5-dimethylthio-4',5'-dicyanotetrathiafulvalene | 867152-68-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二硫醇
• 英文名称: 4,5-dimethylthio-4',5'-dicyanotetrathiafulvalene
• 英文别名: 2,3-bis(4,5-dimethylthio-1,3-dithiole-2-ylidene)succinonitrile；Bis[4,5-bis(methylsulfanyl)-2H-1,3-dithiol-2-ylidene]butanedinitrile；2,3-bis[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]butanedinitrile
• CAS: 867152-68-9
• 化学式: C₁₄H₁₂N₂S₈
• 分子量: 464.791
• InChiKey: FESVCMKIJUWCPG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  250
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  4,5-dimethylthio-4',5'-dicyanotetrathiafulvalene 、 silver trifluoromethanesulfonate 以 甲醇 、 二氯甲烷 为溶剂， 以50%的产率得到Ag2(2,3-bis(4,5-dimethylthio-1,3-dithiole-2-ylidene)succinonitrile)(CF3SO3)2
  参考文献：
  名称：

  Coordination networks of 2,3-bis(4,5-dimethylthio-1,3-dithiole-2-ylidene)succinonitrile with silver salts: A study of network connectivity and topology as a function of counterion

  摘要：

  Complexes of 2,3-bis(4,5-dimetliylthio-1,3-dithiole-2-ylidene)succinonitrile (L) with AgX salts (X = NO3-,CF3SO3-) have been prepared and fully characterized by elemental analysis, 1R and single-crystal X-ray analysis. The structural topology in the solid state is found to depend on the type of counterions. With AgNO3, a 3D coordination network of composition [Ag-2(L)(NO3)(2)](n) (1) forms in which Ag(I) is six-coordinated, bonding to two sulfur atoms of ligand L, a neighboring ligand nitrogen atom and totally three oxygen atoms of bridging nitrate anions. Changing the counterion to triflate produces a 2D coordination network of composition [Ag-2(L)(CF3SO3)(2)](n) (2) in which Ag(I) is five-coordinated and bonds to two sulfur atoms of ligand L and totally three oxygen atoms of bridging triflate anions. Obviously, in the latter case, the nitrile groups of L are non-coordinating.

  DOI：

  10.1016/j.poly.2005.06.023
• 作为产物：
  描述：

  4,5-双(甲硫代)-1,3-二硫杂环戊烯-2-硫酮 、 4,5-二氰-1,3-二硫酚-2-酮 在 亚磷酸三乙酯 作用下， 以 甲苯 为溶剂， 反应 3.0h， 以13%的产率得到4,5-dimethylthio-4',5'-dicyanotetrathiafulvalene
  参考文献：
  名称：

  A Facile Approach to New Vinylogous Tetrathiafulvalene (TTF) Derivatives: 2,3-Bis(1,3-dithiole-2-ylidene)succinonitriles

  摘要：

  报告了一种通过炔偶联反应制备乙烯基 TTF 衍生物 5 的新方法。研究了它们的基本氧化还原行为。报告还讨论了化合物 5 形成的反应机理。

  DOI：

  10.1055/s-2005-869997