(4,6-dimethylpyrimidine-2(1H)-thione)phenylmercury(II) tetrafluoroborate monohydrate | 1122592-64-6

• 英文名称: (4,6-dimethylpyrimidine-2(1H)-thione)phenylmercury(II) tetrafluoroborate monohydrate
• CAS: 1122592-64-6
• 化学式: BF₄*C₁₂H₁₃HgN₂S*H₂O
• 分子量: 522.725
• InChiKey: VMBUECYCVMZQGM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  tetrafluoroboric acid 、 (4,6-dimethylpyrimidine-2(1H)-thione(-1H))phenylmercury(II) 以 水 、 乙腈 为溶剂， 以86%的产率得到(4,6-dimethylpyrimidine-2(1H)-thione)phenylmercury(II) tetrafluoroborate monohydrate
  参考文献：
  名称：

  Cationic and neutral phenylmercury(II) complexes with heterocyclic thione ligands. X-ray structures of [HgPh(dmpymtH)][BF4]·H2O and [{HgPh}2(μ-dtu)]

  摘要：

  The neutral complex [HgPh(dmpymt)] 1 (dmpymtH = 4,6-dimethylpyrimidine-2(1H)-thione) reacts with HBF4 to give the cationic complex [HgPh(dmpymtH)][BF4] 2. The X-ray molecular structure of the later revealed a [2+1] coordination sphere about the mercury(II) atom (C-Hg-S and Hg center dot center dot center dot N). In the dinuclear complex [(HgPh)(2)(mu-dtu)] 3 [dtuH(2) = 2,4(1H,3H)-pyrimidinedithione or dithiouracil] the coordination spheres are also [2+1] although dissimilar regarding the Hg center dot center dot center dot N secondary bonds. NMR spectroscopy (H-1, C-13 and Hg-199) studies were undertaken in solution and the results discussed in the light of the X-ray structures. (C) 2008 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2008.10.035