2-((6-hydroxy-2-oxo-2H-chromen-5-yl)methylene)-N-methylhydrazine-1-carbothioamide | 1211565-50-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 2-((6-hydroxy-2-oxo-2H-chromen-5-yl)methylene)-N-methylhydrazine-1-carbothioamide
• CAS: 1211565-50-2
• 化学式: C₁₂H₁₁N₃O₃S
• 分子量: 277.304
• InChiKey: HMGWPBJIFRZVPF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.93
• 重原子数：
  19.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  86.86
• 氢给体数：
  3.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  5-formyl-6-hydroxycoumarin 、 4-甲基氨基硫脲 在 盐酸 作用下， 以 乙醇 为溶剂， 反应 5.0h， 生成 2-((6-hydroxy-2-oxo-2H-chromen-5-yl)methylene)-N-methylhydrazine-1-carbothioamide
  参考文献：
  名称：

  DNA cleavage, antimicrobial, spectroscopic and fluorescence studies of Co(II), Ni(II) and Cu(II) complexes with SNO donor coumarin Schiff bases

  摘要：

  A series of Co(II), Ni(II) and Cu(II) complexes of the type ML2 have been synthesized with Schiff bases derived from methylthiosemicarbazone and 5-formyl-6-hydroxy coumarin/8-formyl-7-Hydroxy-4-methylcoumarin. The complexes are insoluble in common organic solvents but soluble in DMF and DMSO. The measured molar conductance values in DMF indicate that, the complexes are non-electrolytes in nature. In view of analytical, spectral (IR, UV-vis, ESR, FAB-mass and fluorescence), magnetic and thermal studies, it has been concluded that, all the metal complexes possess octahedral geometry in which ligand is coordinated to metal ion through azomethine nitrogen, thione Sulphur and phenolic oxygen atom via deprotonation. The redox behavior of the metal complexes was investigated by using cyclic voltammetry. The Schiff bases and their complexes have been screened for their antibacterial (Escherichia coli, Staphylococcus aureus, Pseudomonas aeruginosa and Salmonella typhi) and antifungal activities (Aspergillus niger, Aspergillus flavus and Cladosporium) by Minimum Inhibitory Concentration method. The DNA cleavage is studied by agarose gel electrophoresis method. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2009.10.039