S-methyldithiocarbazate | 220441-24-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: S-methyldithiocarbazate
• 英文别名: methyl (2E)-2-(methylsulfanylcarbothioylhydrazinylidene)propanoate
• CAS: 220441-24-7
• 化学式: C₆H₁₀N₂O₂S₂
• 分子量: 206.29
• InChiKey: CMWLZXFGUQHLHR-QPJJXVBHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  108
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  S-methyldithiocarbazate 、 copper dichloride 以 乙醇 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and characterization of copper(II) complexes of the methylpyruvate Schiff base of S-methyldithiocarbazate (Hmpsme) and the X-crystal structures of Hmpsme and [Cu(mpsme)Cl]

  摘要：

  New copper(II) complexes of general formula, [Cu(mpsme)X] (mpsme = anionic form of the methylpyruvate Schiff base of S-methyldithiocarbazate; X = Cl-, Br-) have been prepared and characterized by a variety of physico-chemical techniques. Based on magnetic and spectral evidence, a square-planar structure is assigned to these complexes. Reaction of the Schiff base with copper(II) nitrate does not yield a nitrato-copper(II) complex of the ligand. Instead, hydrolysis of the Schiff base occurs with the concomitant formation of the copper(II) complex of the pyruvic acid Schiff base of S-methyldithiocarbazate. Based on magnetic and spectral evidence. an oxygen-bridged square-planar structure is assigned to this complex. The crystal and molecular structures of the Schiff base, Hmpsme and its chlorocopper(II) complex, [Cu(mpsme)Cl] have been determined by X-ray diffraction. The [Cu(mpsme)Cl] complex has a distorted square-planar structure with the ligand coordinated to the copper(II) ion as a uninegatively charged tridentate chelating agent via the carbonylic oxygen atom, the azomethine nitrogen atom and the thiolato sulfur atom. The fourth coordination position around the copper(II) ion is occupied by the chloride ligand. The distortion from regular square-planar geometry is attributed to the restricted bite size of the ligand. (C) 2001 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0277-5387(01)00730-6

文献信息

• Synthesis and characterization of bis-chelated nickel(II) complexes of the methylpyruvate Schiff bases of S-alkyldithiocarbazates and the X-ray crystal structure of the [Ni(ONSMe)2] complex
  作者：Mohammad Akbar Ali、Mohamed Nazimuddin、Rina Shaha、Ray J. Butcher、JeffreyC. Bryan

  DOI：10.1016/s0277-5387(98)00189-2

  日期：1998.11

  New nickel(II) complexes of general empirical formula: [Ni(ONS)(2)] (ONS- is the anionic form of tridentate ligands formed from methylpyruvate and S-methyl- and S-benzyldithiocarbazates) have been synthesized and characterized by magnetic and spectroscopic techniques. The complexes are six-coordinate and octahedral. The crystal and molecular structure of [Ni(ONSMe)(2)] (ONSMe- is the anionic form of the methylpyruvate Schiff base of S-methyldirhiocarbazate) has been determined by X-ray diffraction which shows that the nickel(II) complex has a distorted octahedral structure with the ligands coordinated to the nickel(II) ion as uninegatively charged tridentate chelating agents via the carbonyl oxygen, the azomethine nitrogen and the mercaptide sulphur atoms. The distortion from regular octahedral geometry is attributed to the restricted bite angles of the planar ONS tridentate ligands. (C) 1998 Elsevier Science Ltd. All rights reserved.