catena-poly[triphenyltin-μ-(N-methyl-N-phenylthiocarbamoylthioacetato-O:O')] | 226882-65-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: catena-poly[triphenyltin-μ-(N-methyl-N-phenylthiocarbamoylthioacetato-O:O')]
• 英文别名: triphenyltin N-methyl-N-phenylthiocarbamoylthioacetate
• CAS: 226882-65-1
• 化学式: C₂₈H₂₅NO₂S₂Sn
• 分子量: 590.354
• InChiKey: DYUMBCAHYCVUIX-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  4.35
• 重原子数：
  34.0
• 可旋转键数：
  7.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  29.54
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  2-(N-Phenyl-N-methyl-thiocarbamoylthio)acetic Acid 、 三苯基氢氧化锡 以 乙醇 为溶剂， 生成 catena-poly[triphenyltin-μ-(N-methyl-N-phenylthiocarbamoylthioacetato-O:O')]
  参考文献：
  名称：

  catena-Poly[triphenyltin-μ-(N,N-diethylthiocarbamoylthioacetato-O:O')],catena-poly[triphenyltin-μ-(N-methyl-N-phenylthiocarbamoylthioacetato-O:O')] and triphenyl(N,N-tetramethylenethiocarbamoylthioacetato-O)tin

  摘要：

  Carboxylate bridges link the two independent molecules of triphenyltin N,N-diethylthiocarbamoylthio-acetate, (I), and the four independent molecules of triphenyltin N-methyl-N-phenylthiocarbamoylthioacetate, (II), into linear chains whose Sn atoms show trans-trigonal-bipyramidal coordination, i.e. (I) is catena -poly [triphenyltin-mu-(N,N-diethylthiocarbamoylthioacetato-O: O')], [Sn(C6H5)(3)(mu-C7H12NO2S2)](n), and (II) is catena-poly [triphenyltin-mu-(N-methyl-N-phenylthiocarbamoylthioacetato-O:O')], [Sn(C6H5)(3)(mu C10H10NO2S2)](n). Triphenyltin N,N-tetramethylenethiocarbamoylthioacetate {or triphenyl (N,N-tetramethylenethiocarbamoylthioacetato-O)tin, [Sn(C6H5)(3)(C7H10NO2S2)]} exists as a monomeric tetrahedral molecule.

  DOI：

  10.1107/s0108270199002954