N,N'-(thiodiethane-2,1-diyl)bis(1-methyl-1H-imidazole-2-carboxamide) | 1227300-85-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N,N'-(thiodiethane-2,1-diyl)bis(1-methyl-1H-imidazole-2-carboxamide)
• 英文别名: 1-methyl-N-[2-[2-[(1-methylimidazole-2-carbonyl)amino]ethylsulfanyl]ethyl]imidazole-2-carboxamide
• CAS: 1227300-85-7
• 化学式: C₁₄H₂₀N₆O₂S
• 分子量: 336.418
• InChiKey: PFOKGEOQRHMXCL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  23
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  119
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N,N'-(thiodiethane-2,1-diyl)bis(1-methyl-1H-imidazole-2-carboxamide) 、 silver trifluoromethanesulfonate 以 乙腈 为溶剂， 以97%的产率得到[Ag2(N,N'-(thiodiethane-2,1-diyl)bis(1-methyl-1H-imidazole-2-carboxamide)2][CF3SO3]
  参考文献：
  名称：

  Supramolecular assembly of a dinuclear Ag(I) complex with discreet Ag2S2 centers

  摘要：

  The NS chelate N,N'-(thiodiethane-2,1-diyl)bis(1-methyl-1H-imidazole-2-carboxamide) and its silver(I) complex have been synthesized and characterized by X-ray crystallography. The complex displays a supramolecular structure consisting of discreet Ag2S2 centers stacked in columns along the a-axis via pi-interactions. Individual Ag2S2 cores are isolated with no significant interactions between Ag ions. (c) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2009.08.027