pyridyl bis(3-piperidylthiosemicarbazone) | 316790-58-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: pyridyl bis(3-piperidylthiosemicarbazone)
• 英文别名: N'-(2-((1-Piperidinylcarbothioyl)hydrazono)-1,2-di(2-pyridinyl)ethylidene)-1-piperidinecarbothiohydrazide；N-[(E)-[(2E)-2-(piperidine-1-carbothioylhydrazinylidene)-1,2-dipyridin-2-ylethylidene]amino]piperidine-1-carbothioamide
• CAS: 316790-58-6
• 化学式: C₂₄H₃₀N₈S₂
• 分子量: 494.688
• InChiKey: LEEHMUDQGYHRBO-GPAWKIAZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  34
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  145
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  pyridyl bis(3-piperidylthiosemicarbazone) 、 nickel(II) acetate tetrahydrate 以 乙醇 为溶剂， 生成 pyridyl bis(3-piperidylthiosemicarbazonato)nickel(II) hydrate
  参考文献：
  名称：

  摘要：

  Pyridyl bis(N(4)-substituted thiosemicarbazones), in which the substituents replacing the NH2 group on the thiosemicarbazone moieties are piperidyl, H(2)P1pip; hexamethyleneiminyl, H(2)P1hexim; diethylamino, H(2)P14DE; and dipropylamino, H(2)P14DP, have been synthesized. These bis(thiosemicarbazones) and their nickel(II) complexes have been characterized with IR, electronic, mass, and H-1 and C-13 NMR spectra. Crystal structures have been solved for H(2)P1pip and all four nickel(II) complexes. H(2)P1pip does not possess hydrogen bonding between the thiosemicarbazone moieties, but is in the Z isomeric form with intramolecular hydrogen bonding from both thiosemicarbazone moieties to pyridine nitrogen atoms. The nickel(II) complexes possess square-planar N2S2 (i.e., imine nitrogen and thiolato sulfur atoms) centers and the two pyridine ring nitrogen atoms are not coordinated.

  DOI：

  10.1002/1521-3749(200011)626:11<2353::aid-zaac2353>3.0.co;2-h