ammonium 1-phenyl-1,2,3,4-tetrazole-5-thiolate | 160196-41-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: ammonium 1-phenyl-1,2,3,4-tetrazole-5-thiolate
• 英文别名: Azanium;1-phenyltetrazole-5-thiolate
• CAS: 160196-41-8
• 化学式: C₇H₅N₄S*H₄N
• 分子量: 195.248
• InChiKey: ZIQQKRWFFATASR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.94
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  45.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ammonium 1-phenyl-1,2,3,4-tetrazole-5-thiolate 、 氯化三苯基铅 以 甲醇 为溶剂， 以68%的产率得到triphenyl(1-phenyl-5-mercapto-1H-1,2,3,4-tetrazolato)lead(IV)
  参考文献：
  名称：

  The structure of triphenyl(1-phenyl-5-mercapto-1H-1,2,3,4-tetrazolato)lead(IV): towards the first example of a π-coordinated metallotetrazole?

  摘要：

  The structure of the organolead thiotetrazolate 5-(Ph3PbS)CN4Ph-1 has been determined and incorporates intermolecular N-Pb interactions that are suggestive of the onset of pi-coordination. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(99)00288-0

文献信息

• (1-Phenyl-1<i>H</i>-1,2,3,4-tetrazole-5-thiolato-<i>S</i>)bis(triphenylphosphine)silver(I) methanol solvate
  作者：K. C. Molloy、M. F. Mahon、M. C. Barret

  DOI：10.1107/s0108270199000311

  日期：1999.4.15

  The title compound, [Ag(C7H5N4S)(C18H15P)(2)]. CH3OH, contains trigonal-planar silver coordinated to the thiotetrazole ligand via sulfur. The presence of methanol, which hydrogen bonds to the tetrazole ring, weakens the donor capacity of the ring N atoms, preventing their interaction with silver.