tetra(5-butyl-2-thiophenedithiocarboxylato)dizinc(II) | 921221-43-4

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: tetra(5-butyl-2-thiophenedithiocarboxylato)dizinc(II)
• CAS: 921221-43-4
• 化学式: C₃₆H₄₄S₁₂Zn₂
• 分子量: 992.317
• InChiKey: DHOMEXXOEQADQV-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  13.25
• 重原子数：
  50.0
• 可旋转键数：
  16.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  sodium 5-butyl-2-thiophenedithiocarboxylate 、 zinc(II) chloride 以 水 为溶剂， 以33%的产率得到tetra(5-butyl-2-thiophenedithiocarboxylato)dizinc(II)
  参考文献：
  名称：

  The synthesis, structural features and thermal behaviour of thiophene-containing dithiocarboxylate complexes of zinc(II)

  摘要：

  The complexes [Zn-2(S2CTR)(4)] (T = 2,5-disubstituted thiophene, R = C4H9 (1), C6H13 (2), C8H17 (3), C12H25 (4) and C16H33 (5)) have been synthesized and their structural features investigated. Compared to the analogous dithiobenzoate complexes, the crystal structure determination of 2 revealed that the thiophene induces a "step-rod" chain pattern instead of the linear, rodlike structure found for the corresponding dithiobenzoates. Complexes 1-5 did not display mesophases under thermal conditions, but an irregular melting pattern was observed for 3 and 4. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2006.07.003