2-(3-methyl-2-thienyl methylene)

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2-(3-methyl-2-thienyl methylene)
• 英文别名: [(3-Methylthiophen-2-yl)methylideneamino]urea
• 化学式: C₇H₉N₃OS
• mdl: MFCD01126746
• 分子量: 183.234
• InChiKey: VULPZLSSGFJLAZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  95.7
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(3-methyl-2-thienyl methylene) 、 nickel diacetate 以 乙醇 为溶剂， 以62%的产率得到Ni(L)₂(CH₃COO)₂
  参考文献：
  名称：

  Synthesis, spectroscopic, anticancer, antibacterial and antifungal studies of Ni(II) and Cu(II) complexes with hydrazine carboxamide, 2-[3-methyl-2-thienyl methylene]

  摘要：

  Schiffs base ligand(L) hydrazine carboxamide, 2-13-methyl-2-thienyl methylene] and its metal complexes have been synthesized and characterized by elemental analysis, molar conductance, various spectroscopic techniques such as electronic, IR, H-1 NMR, mass, EPR. Molar conductance of complexes in DMF solution corresponds to non-electrolyte. Complexes have general composition [M(L)(2)X-2], where M = Ni(II) and Cu(II), X = Cl-, NO3-, CH3COO- and 1/2SO(4)(2-). On the basis of above spectral studies, an octahedral geometry has been assigned for Ni(II) complexes and tetragonal geometry for Cu(II) complexes except [Cu(L)(2-)SO4] which possesses five coordinated trigonal bipyramidal geometry. These metal complexes were also tested for their of ligand and its metal complexes were evaluated using SRB fluorometric assay and Adriamycin (ADR) was applied as positive control. Schiff's base ligand and its metal complexes were screened for their antibacterial and antifungal activity against Escherichia coli, Bacillus cereus and Aspergillus niger, Aspergillus flavus, respectively. Kirby-Bauer single disk susceptibility test was used for antibacterial activity and well diffusion method for antifungal activity of the compounds on the used fungi. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2014.06.143
• 作为产物：
  描述：

  3-甲基噻吩醛 、 盐酸氨基脲 在 sodium acetate 作用下， 以 水 为溶剂， 以67%的产率得到2-(3-methyl-2-thienyl methylene)
  参考文献：
  名称：

  Synthesis, spectroscopic, anticancer, antibacterial and antifungal studies of Ni(II) and Cu(II) complexes with hydrazine carboxamide, 2-[3-methyl-2-thienyl methylene]

  摘要：

  Schiffs base ligand(L) hydrazine carboxamide, 2-13-methyl-2-thienyl methylene] and its metal complexes have been synthesized and characterized by elemental analysis, molar conductance, various spectroscopic techniques such as electronic, IR, H-1 NMR, mass, EPR. Molar conductance of complexes in DMF solution corresponds to non-electrolyte. Complexes have general composition [M(L)(2)X-2], where M = Ni(II) and Cu(II), X = Cl-, NO3-, CH3COO- and 1/2SO(4)(2-). On the basis of above spectral studies, an octahedral geometry has been assigned for Ni(II) complexes and tetragonal geometry for Cu(II) complexes except [Cu(L)(2-)SO4] which possesses five coordinated trigonal bipyramidal geometry. These metal complexes were also tested for their of ligand and its metal complexes were evaluated using SRB fluorometric assay and Adriamycin (ADR) was applied as positive control. Schiff's base ligand and its metal complexes were screened for their antibacterial and antifungal activity against Escherichia coli, Bacillus cereus and Aspergillus niger, Aspergillus flavus, respectively. Kirby-Bauer single disk susceptibility test was used for antibacterial activity and well diffusion method for antifungal activity of the compounds on the used fungi. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2014.06.143