| 949881-80-5

• 分子结构分类: 有机化合物
• CAS: 949881-80-5
• 化学式: C₄₂H₇₀NiS₇
• 分子量: 858.17
• InChiKey: PCSBQBFZJNVUNS-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  16.63
• 重原子数：
  50.0
• 可旋转键数：
  32.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  nickel(II) chloride hexahydrate 、 sodium 5-hexadecyl-2-thiophenedithiocarboxylate 以 水 为溶剂， 生成
  参考文献：
  名称：

  The synthesis, characterization and melting properties of thiophene-containing dithiocarboxylate complexes of nickel(II)

  摘要：

  The reactions of a series of 5-alkyl-2-thiophenedithiocarboxylates with nickel(II) chloride afforded two types of complexes, blue nickel(II) complexes with two terminal dithiocarboxylate ligands, [Ni(S2CTR)(2)] and violet nickel(II) complexes with perthio- and dithiocarboxylate ligands, [Ni(S2CTR)(S3CTR)] (where T = 2,5-disubstituted thiophene, R = CnH2+1, n = 4,6,8,12,16). The blue monomers are preferred for the shorter chains (C-4 and Q and the violet compounds form exclusively for the longer chains (C-8, C-12, and C-16) in the alkylthiophene complexes. In addition to the above series, [Ni(S-2,CTCH3)(2)], was prepared in a one-pot reaction in THF and both the blue and violet products were isolated. It was possible to convert the blue complexes [Ni(S2CTR)(2)] (R = butyl, hexyl) into the corresponding violet complexes [Ni(S3CTR)(S3CTR)] after stirring in THF solutions for prolonged periods of time. Liquid-crystalline properties of these complexes were examined by DSC and POM. The violet complexes with Cs and C12 alkyl chains showed liquid-crystalline properties. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2007.03.056