2(E)-2-[1-(3-pyridinyl)ethylidene]hydrazinecarbothioammide hydrochloride | 1548699-96-2

• 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: 2(E)-2-[1-(3-pyridinyl)ethylidene]hydrazinecarbothioammide hydrochloride
• CAS: 1548699-96-2
• 化学式: C₈H₁₀N₄S*ClH
• 分子量: 230.721
• InChiKey: NXEGWIBITXRLRK-ICSBZGNSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.06
• 重原子数：
  14.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  63.3
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  3-乙酰基吡啶 、 氨基硫脲单盐酸盐 在 盐酸 作用下， 以 水 为溶剂， 反应 120.0h， 以74%的产率得到2(E)-2-[1-(3-pyridinyl)ethylidene]hydrazinecarbothioammide hydrochloride
  参考文献：
  名称：

  Analysis of the structures of the Cu(I) and Cu(II) complexes with 3-acetylpyridine and thiocyanate

  摘要：

  3-Acetylpyridine thiosemicarbazone hydrochloride was synthesized and structurally characterized. Complexes of Cu(II) with this ligand could not be obtained by direct synthesis. By synthesis in situ mixing Cu(BF4)(2)center dot 6H(2)O, 3-acetylpyridine (3-Acpy) and semicarbazide, a Cu(I) polymer, {[Cu(SCN)(3-Acpy)(2)]}(n) was obtained and structurally characterized. Reaction of Cu(BF4)(2)center dot 6H(2)O, 3-acetylpyridine and ammonium thiocyanate afforded a dinuclear Cu(II) complex with two thiocyanate ions in bridges, which was structurally characterized. Magnetic measurements were performed for the dinuclear complex. OFT calculations provided explanation for inability to obtain a mononuclear complex. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2013.11.027