N-cyclohexylcarbamodithioate;nickel(2+) | 113588-56-0

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 英文名称: N-cyclohexylcarbamodithioate;nickel(2+)
• CAS: 113588-56-0
• 化学式: C₁₄H₂₄N₂NiS₄
• 分子量: 407.312
• InChiKey: KMKOXXNIZQDYPM-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  3.48
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  90.2
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-cyclohexylcarbamodithioate;nickel(2+) 以 neat (no solvent) 为溶剂， 生成 nickel(II) sulfide
  参考文献：
  名称：

  Spectral, thermal and in vitro antimicrobial studies of cyclohexylamine-N-dithiocarbamate transition metal complexes

  摘要：

  Transition metal complexes of the type [M(L)(2)] and those containing monodentate phosphines of the type [M(L)(2)(PPh3)] {M = Ni, Co, Cu and Zn; L = cyclohexylamine-N-dithiocarbamate; PPh3 = triphenylphosphine} have been synthesized. The complexes were characterized using IR, UV-vis, NMR spectroscopy, and thermal analysis (TGA). The H-1 NMR, C-13 NMR and P-31 NMR showed the expected signals for the dithiocarbamate and triphenylphosphine moieties. The spectral studies in all compounds revealed that the coordination of metals occurs via the sulphur atom of the dithiocarbamate ligand in a bidentate fashion. Thermal behavior of the complexes showed that the complexes were more stable than their parent ligands. The ligand moiety is lost in the first step and the rest of the organic moiety decomposes in the subsequent steps. Furthermore, the ligand and their metal complexes were screened in vitro for their antibacterial activity against Escherichia coli, Staphylococcus aureus,Salmonella typhi, Enterococcus faecalis, Pseudomonas aeruginosa and Bacillus cereus and antifungal activities against Aspergillus flavus, Aspergillus carbonarius, Aspergillus niger and Aspergillus fumigatus. The metal complexes exhibited higher antimicrobial activity than the parent ligands. Generally, the zinc complexes were effective against the growth of bacteria with Zn(L)(2) displaying broad spectrum bacteriocidal activity at concentrations of 50 mu g/mL; and Ni(L)(2) was more effective against the growth of fungi at concentrations of 100-400 mu g/mL under laboratory conditions. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2010.06.002
• 作为产物：
  描述：

  nickel(II) acetate tetrahydrate 、 cyclohexylaminodithiocarboxylic acid, potassium salt 以 甲醇 为溶剂， 以50%的产率得到N-cyclohexylcarbamodithioate;nickel(2+)
  参考文献：
  名称：

  Spectral, thermal and in vitro antimicrobial studies of cyclohexylamine-N-dithiocarbamate transition metal complexes

  摘要：

  Transition metal complexes of the type [M(L)(2)] and those containing monodentate phosphines of the type [M(L)(2)(PPh3)] {M = Ni, Co, Cu and Zn; L = cyclohexylamine-N-dithiocarbamate; PPh3 = triphenylphosphine} have been synthesized. The complexes were characterized using IR, UV-vis, NMR spectroscopy, and thermal analysis (TGA). The H-1 NMR, C-13 NMR and P-31 NMR showed the expected signals for the dithiocarbamate and triphenylphosphine moieties. The spectral studies in all compounds revealed that the coordination of metals occurs via the sulphur atom of the dithiocarbamate ligand in a bidentate fashion. Thermal behavior of the complexes showed that the complexes were more stable than their parent ligands. The ligand moiety is lost in the first step and the rest of the organic moiety decomposes in the subsequent steps. Furthermore, the ligand and their metal complexes were screened in vitro for their antibacterial activity against Escherichia coli, Staphylococcus aureus,Salmonella typhi, Enterococcus faecalis, Pseudomonas aeruginosa and Bacillus cereus and antifungal activities against Aspergillus flavus, Aspergillus carbonarius, Aspergillus niger and Aspergillus fumigatus. The metal complexes exhibited higher antimicrobial activity than the parent ligands. Generally, the zinc complexes were effective against the growth of bacteria with Zn(L)(2) displaying broad spectrum bacteriocidal activity at concentrations of 50 mu g/mL; and Ni(L)(2) was more effective against the growth of fungi at concentrations of 100-400 mu g/mL under laboratory conditions. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2010.06.002

文献信息

• Thermal decomposition kinetics of square-planar d8 bis(N-monosubstituted-dithlocarbamato)metal(II) complexes
  作者：G.A. Katsoulos、M. Lalia-Kantouri、C.C. Hadjikostas、P. Kokorotsikos

  DOI：10.1016/0040-6031(89)85293-1

  日期：1989.9

  Abstract Thermogravimetric (TG) and derivative thermogravimetric (DTG) studies of [N(S 2 CN-HR) 2 ] complexes (M = Ni, Pd, Pt; R = Bu n , Cx, Ph) in dynamic nitrogen atmosphere have been performed, to determine their modes of decomposition. All of the complexes showed similar TG profiles. Mass loss considerations at the main decomposition stages indicate conversion of the metal(II) dithiocarbamates to sulphides

  摘要 已在动态氮气氛中对 [N(S 2 CN-HR) 2 ] 配合物（M = Ni、Pd、Pt；R = Bun、Cx、Ph）进行了热重 (TG) 和导数热重 (DTG) 研究。 , 以确定它们的分解模式。所有的复合物都显示出相似的 TG 谱。主要分解阶段的质量损失考虑表明二硫代氨基甲酸金属 (II) 转化为硫化物。通过相应 DTG 曲线的形状特征估计每种情况下的反应顺序。最后，动力学参数（能量、活化熵和指前因子）由 TG 曲线确定。
• Pastorek, Richard; Brezina, Frantishek; Lackova, Lada, Zeitschrift fur Chemie, 1990, vol. 30, p. 452 - 454
  作者：Pastorek, Richard、Brezina, Frantishek、Lackova, Lada、Kamenichek, Jiri

  DOI：——

  日期：——
• Spectral, thermal and in vitro antimicrobial studies of cyclohexylamine-N-dithiocarbamate transition metal complexes
  作者：Saul M. Mamba、Ajay K. Mishra、Bhekie B. Mamba、Patrik B. Njobeh、Mike F. Dutton、Elvis Fosso-Kankeu

  DOI：10.1016/j.saa.2010.06.002

  日期：2010.10

  Transition metal complexes of the type [M(L)(2)] and those containing monodentate phosphines of the type [M(L)(2)(PPh3)] M = Ni, Co, Cu and Zn; L = cyclohexylamine-N-dithiocarbamate; PPh3 = triphenylphosphine} have been synthesized. The complexes were characterized using IR, UV-vis, NMR spectroscopy, and thermal analysis (TGA). The H-1 NMR, C-13 NMR and P-31 NMR showed the expected signals for the dithiocarbamate and triphenylphosphine moieties. The spectral studies in all compounds revealed that the coordination of metals occurs via the sulphur atom of the dithiocarbamate ligand in a bidentate fashion. Thermal behavior of the complexes showed that the complexes were more stable than their parent ligands. The ligand moiety is lost in the first step and the rest of the organic moiety decomposes in the subsequent steps. Furthermore, the ligand and their metal complexes were screened in vitro for their antibacterial activity against Escherichia coli, Staphylococcus aureus,Salmonella typhi, Enterococcus faecalis, Pseudomonas aeruginosa and Bacillus cereus and antifungal activities against Aspergillus flavus, Aspergillus carbonarius, Aspergillus niger and Aspergillus fumigatus. The metal complexes exhibited higher antimicrobial activity than the parent ligands. Generally, the zinc complexes were effective against the growth of bacteria with Zn(L)(2) displaying broad spectrum bacteriocidal activity at concentrations of 50 mu g/mL; and Ni(L)(2) was more effective against the growth of fungi at concentrations of 100-400 mu g/mL under laboratory conditions. (C) 2010 Elsevier B.V. All rights reserved.