S-methyl-β-N-(6-methylpyrid-2-yl)methylene dithiocarbazateH | 192119-30-5

• 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: S-methyl-β-N-(6-methylpyrid-2-yl)methylene dithiocarbazateH
• 英文别名: methyl N-[(6-methylpyridin-2-yl)methylideneamino]carbamodithioate
• CAS: 192119-30-5
• 化学式: C₉H₁₁N₃S₂
• 分子量: 225.338
• InChiKey: XOHDGENIENRBBG-UHFFFAOYSA-N

物化性质

• 沸点：
  360.7±44.0 °C(Predicted)
• 密度：
  1.22±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  63.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  nickel(II) nitrate hexahydrate 、 S-methyl-β-N-(6-methylpyrid-2-yl)methylene dithiocarbazateH 以 乙醇 为溶剂， 生成 bis(S-methyl-β-N-(6-methylpyrid-2-yl)methylenedithiocarbazato)nickel(II)
  参考文献：
  名称：

  S-烷基二硫代氨基甲酸酯的6-甲基吡啶-2-羧甲醛席夫碱双螯合镍（II）配合物的制备与表征以及双{S-甲基-β-N-（6-甲基吡啶-2-基）-亚甲基二硫代氨基甲酸镍}镍（II）配合物

  摘要：

  摘要制备了新的通式[Ni（NNS）2]（NNS- =由6-甲基-2-甲酰基吡啶与S-甲基和S-苄基二硫代氨基甲酸酯缩合形成的带负电荷的三齿配体）的镍（II）配合物。并以各种物理化学技术为特征。磁性和光谱学证据支持这些配合物的扭曲八面体结构。通过X射线衍射研究确定了双{S-甲基-β-N-（6-甲基吡啶-2-基）亚甲基二硫代氨基甲酰氨基}镍（II）配合物的晶体和分子结构。该配合物具有扭曲的八面体结构，其配位体通过吡啶氮，偶氮甲碱氮和硫醇硫原子作为非负电荷的三齿螯合剂与镍（II）离子配位。

  DOI：

  10.1016/s0277-5387(97)00036-3

文献信息

• Synthesis, characterization and bioactivity of mixed-ligand Cu(II) complexes containing S-methyldithiocarbazate derivatives and saccharinate ligands and the X-ray crystal structure of the copper–saccharinate complex containing S-methyl-β-N-(6-methylpyrid-2-yl)methylenedithiocarbazate
  作者：Thahira B.S.A. Ravoof、Karen A. Crouse、M. Ibrahim M. Tahir、Andrew R. Cowley、M. Akbar Ali

  DOI：10.1016/j.poly.2004.08.005

  日期：2004.10

  New mixed-ligand complexes of general empirical formula, [Cu(NNS)(sac)(H2O)] (NNS"'= S-methyl-beta-N-(6-methylpyrid-2-yl)methylenedithiocarbazate, NNS" = S-methyl-beta-N-(2-acetylpyrid-2-yl)methylenedithiocarbazate and NNS'" = S-methyl-beta-N-(2-benzoylpyrid-2-yl) methylenedithiocarbazate, sac = the saccharinate anion) have been synthesized by reacting [Cu(sac)(2)(H2O)(4)].2H(2)O with the appropriate ligands in water-ethanol mixtures and characterized by elemental analysis and conductance, magnetic, IR and electronic spectroscopic measurements. Magnetic and spectral evidence support a five-coordinate geometry for the complexes in which the Schiff bases coordinate as NNS tridentate ligands and the saccharinate anion coordinates as a unidentate N-donor ligand. An X-ray crystallographic structural analysis of [Cu(NNS')(sac)(H2O)] shows that the complex has a distorted square-pyramidal structure in which the Schiff base is coordinated to the copper ion as a tridentate NNS chelating agent via the pyridine nitrogen atom, the azomethine nitrogen atom and the thiolate sulfur atom, the fourth and fifth coordination positions of the five-coordinate Cu(II) ion being occupied by the imino nitrogen of the saccharinate anion and oxygen atom of the aqua ligand. The complexes have been evaluated for their biological activities against eight pathogenic microbials and human T-lymphoblastic leukemia cell lines. The complexes exhibit marked cytotoxicity against leukemic cell lines and display moderate activity against pathogenic bacteria and fungi. (C) 2004 Published by Elsevier Ltd.
• Ali, Akbar M.; Butcher, Ray J.; Bryan, J. C., Inorganica Chimica Acta, <hi>1999</hi>, vol. 287, p. 8 - 13
  作者：Ali, Akbar M.、Butcher, Ray J.、Bryan, J. C.

  DOI：——

  日期：——