(4,5-bis(methylthio)-1,3-dithiole-2-thione)PdI2 | 716332-40-0

• 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: (4,5-bis(methylthio)-1,3-dithiole-2-thione)PdI2
• 英文别名: 4,5-bis(methylsulfanyl)-1,3-dithiole-2-thione;diiodopalladium
• CAS: 716332-40-0
• 化学式: C₁₀H₁₂I₂PdS₁₀
• 分子量: 813.094
• InChiKey: JJFMDGMHULPZRD-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  1.97
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  267
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  双(乙腈)氯化钯(II) 、 (4,5-bis(methylthio)-1,3-dithiole-2-thione)CuI 以 二氯甲烷 、 乙腈 为溶剂， 以51%的产率得到(4,5-bis(methylthio)-1,3-dithiole-2-thione)PdI2
  参考文献：
  名称：

  Copper(I) and palladium(II) complexes of 4,5-bis(methylthio)-1,3-dithiole-2-thione, coordination and S⋯S contact assembled ribbon structures

  摘要：

  Two complexes of 4,5-bis(methylthio)-1,3-dithiole-2-thione (C5H6S5), C5H6S5CuI (1) and (C5H6S5)(2)PdI2 (2), have been synthesized and characterized crystallographically. They are assembled into ribbon structures by coordination bonds and (SS)-S-... contacts. There are very short (SS)-S-... contacts (3.268 Angstrom) between the ribbons of complex 1. The contacts are arranged parallel to the heterocycle plane with one C-(SS)-S-...-C grouping close to linear. The results of the synthetic reactions and crystal structures indicate that the planar coordination of the thiocarbonyl sulfur with Pd(II) is more efficient than the tetrahedral coordination of Cu(I) and the preferential coordination site to Cu(I) and Pd(II) is the S in thiocarbonyl group not the methylthio group. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2004.03.002