5-dimethylaminomethyl-2-thiouracil | 90221-23-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 5-dimethylaminomethyl-2-thiouracil
• 英文别名: 5-[(dimethylamino)methyl]-2-sulfanylidene-1H-pyrimidin-4-one
• CAS: 90221-23-1
• 化学式: C₇H₁₁N₃OS
• 分子量: 185.25
• InChiKey: QKOFOZFTGASVBZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.2
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  76.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-dimethylaminomethyl-2-thiouracil 、 zinc(II) sulfate 以 甲醇 、 乙醇 为溶剂， 生成 (5-dimethylaminomethyl-2-thiouracil)sulfatozinc(II)
  参考文献：
  名称：

  摘要：

  Owing to the presence of multiple donor atoms such as N(1)H, C(2)SH, N(3), C(4)O, and CNC in the newly synthesized antimetabolite, namely, 5-dimethylaminomethyl-2-thiouracil, preferences of the heteroatoms for coordination with metal ions like Cu(II), Zn(II), Cd(II), and Hg(II) were explored. The complexes isolated were characterized by chemical analysis and spectroscopic techniques. The ligand behaves as a bidentate/tetradentate chelating ligand. Invariably in all the complexes, one of the donor atoms is the soft C(2)SH. The kinetic and thermodynamic parameters for the thermal decomposition of the metal chelates were evaluated using (Coats-Redfern) and (Madhusudanan-Krishnan-Ninan) equations. The antimicrobial studies show that the copper(II) complexes are more active than the other complexes.

  DOI：

  10.1023/a:1016032928816

文献信息

• ——
  作者：P. Kamalakannan、D. Venkappayya

  DOI：10.1023/a:1016032928816

  日期：——

  Owing to the presence of multiple donor atoms such as N(1)H, C(2)SH, N(3), C(4)O, and CNC in the newly synthesized antimetabolite, namely, 5-dimethylaminomethyl-2-thiouracil, preferences of the heteroatoms for coordination with metal ions like Cu(II), Zn(II), Cd(II), and Hg(II) were explored. The complexes isolated were characterized by chemical analysis and spectroscopic techniques. The ligand behaves as a bidentate/tetradentate chelating ligand. Invariably in all the complexes, one of the donor atoms is the soft C(2)SH. The kinetic and thermodynamic parameters for the thermal decomposition of the metal chelates were evaluated using (Coats-Redfern) and (Madhusudanan-Krishnan-Ninan) equations. The antimicrobial studies show that the copper(II) complexes are more active than the other complexes.