4(3H)-吡啶硫酮 | 128971-67-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 4(3H)-吡啶硫酮
• 中文别名: 4(3H)-吡啶硫酮(9CI)
• 英文名称: 4-Thiopyridon
• 英文别名: pyridine-4-thione；4-pdtH；4(3H)-Pyridinethione；3H-pyridine-4-thione
• CAS: 128971-67-5
• 化学式: C₅H₅NS
• 分子量: 111.167
• InChiKey: OWEKKVZCXWKHAO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  7
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  44.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  硫氰酸铵 、 4(3H)-吡啶硫酮 、 silver nitrate 以 水 、 乙腈 为溶剂， 以43%的产率得到(pyridine-4-thiole)bis(thiocyanate)trisilver(I)
  参考文献：
  名称：

  A luminescent [Ag3S3]n-tube based metal–organic framework

  摘要：

  Solvothermal treatment of silver nitrate, pyridine-4-thione (4-pdtH) and NH4SCN at 140 degrees C for 3 days produced a three-dimensional metal-organic framework [Ag-3(4-pdt)(SCN)(2)] (1) in which [Ag3S3](n) tubes act as secondary building units and pyridine rings and CN groups act as linkers. At ambient temperature, 1 shows a blue emission band assigned as from a ligand-centred n -> pi* or pi -> pi* process. (c) 2009 Published by Elsevier B.V.

  DOI：

  10.1016/j.inoche.2009.02.020
• 作为产物：
  描述：

  4,4'-联吡啶二硫醚 、 水 生成 4(3H)-吡啶硫酮
  参考文献：
  名称：

  KATRITZKY, ALAN R.;LAPUCHA, ANDRZEJ R.;GREENHILL, JOHN V.;SISKIN, MICHAEL, ENERGY AND FUELS, 4,(1990) N, C. 562-571

  摘要：

  DOI：

文献信息

• KATRITZKY, ALAN R.;LAPUCHA, ANDRZEJ R.;GREENHILL, JOHN V.;SISKIN, MICHAEL, ENERGY AND FUELS, 4,(1990) N, C. 562-571
  作者：KATRITZKY, ALAN R.、LAPUCHA, ANDRZEJ R.、GREENHILL, JOHN V.、SISKIN, MICHAEL

  DOI：——

  日期：——
• A luminescent [Ag3S3]n-tube based metal–organic framework
  作者：Zheng-Ming Hao、Hu-Ping Liu、Huan-Huan Han、Wan-Ting Wang、Xian-Ming Zhang

  DOI：10.1016/j.inoche.2009.02.020

  日期：2009.5

  Solvothermal treatment of silver nitrate, pyridine-4-thione (4-pdtH) and NH4SCN at 140 degrees C for 3 days produced a three-dimensional metal-organic framework [Ag-3(4-pdt)(SCN)(2)] (1) in which [Ag3S3](n) tubes act as secondary building units and pyridine rings and CN groups act as linkers. At ambient temperature, 1 shows a blue emission band assigned as from a ligand-centred n -> pi* or pi -> pi* process. (c) 2009 Published by Elsevier B.V.