5-[(3-methylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione | 358386-60-4

• 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-[(3-methylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
• CAS: 358386-60-4
• 化学式: C₁₂H₁₀N₂O₂S
• 分子量: 246.29
• InChiKey: MOUVFPJNXVOVHO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  59.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4,6-二羟基-2-巯基嘧啶 、 3-甲基苯甲醛 以 乙醇 为溶剂， 生成 5-[(3-methylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
  参考文献：
  名称：

  Spectral, coordination and thermal properties of 5-arylidene thiobarbituric acids

  摘要：

  Synthesis of 5-arylidine thiobarbituric acids containing different functional groups with variable electronic characters were described and their Co2+, Ni2+ and Cu2+ complexes. The stereochemistry and mode of bonding of 5-(substituted benzylidine)-2-TBA complexes were achieved based on elemental analysis, spectral (UV-VIS, IR, H-1 NMR, MS), magnetic susceptibility and conductivity measurements. The ligands were of bidentate and tridentate bonding through S. N and O of pyrimidine nucleolus. All complexes were of octahedral configuration. The thermal data of the complexes pointed to their stability. The mechanism of the thermal decomposition is discussed. The thermodynamic parameters of the dissociation steps were evaluated and discussed. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2013.01.022

文献信息

• Spectral, coordination and thermal properties of 5-arylidene thiobarbituric acids
  作者：Mamdouh S. Masoud、Adel El-Marghany、Adel Orabi、Alaa E. Ali、Reham Sayed

  DOI：10.1016/j.saa.2013.01.022

  日期：2013.4

  Synthesis of 5-arylidine thiobarbituric acids containing different functional groups with variable electronic characters were described and their Co2+, Ni2+ and Cu2+ complexes. The stereochemistry and mode of bonding of 5-(substituted benzylidine)-2-TBA complexes were achieved based on elemental analysis, spectral (UV-VIS, IR, H-1 NMR, MS), magnetic susceptibility and conductivity measurements. The ligands were of bidentate and tridentate bonding through S. N and O of pyrimidine nucleolus. All complexes were of octahedral configuration. The thermal data of the complexes pointed to their stability. The mechanism of the thermal decomposition is discussed. The thermodynamic parameters of the dissociation steps were evaluated and discussed. (C) 2013 Elsevier B.V. All rights reserved.