<(Dimethylamino)(thiocarbonyl)oxy>essigsaeure | 20940-28-7

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫代羰基化合物
• 英文名称: <(Dimethylamino)(thiocarbonyl)oxy>essigsaeure
• 英文别名: O-(N,N-dimethylmonothiocarbamyl)acetic acid；N,N-dimethylthiocarbamoylacetic acid；O-Carboxymethyl-N,N-dimethyl-thiocarbamat；O-Dimethyl-thiocarbamoyl-glykolsaeure；[(Dimethylcarbamothioyl)oxy]acetic acid；2-(dimethylcarbamothioyloxy)acetic acid
• CAS: 20940-28-7
• 化学式: C₅H₉NO₃S
• 分子量: 163.197
• InChiKey: HEIJVWIIYBVNRL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  81.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  <(Dimethylamino)(thiocarbonyl)oxy>essigsaeure 、 三苯基氢氧化锡 以 乙醇 为溶剂， 生成 catena-poly[triphenyltin-μ-(N,N-dimethylthiocarbamoylacetato-O:O')]
  参考文献：
  名称：

  TriphenyltinN,N-dimethylthiocarbamoylacetate, triphenyltinN,N-pentamethylenecarbamoylthioacetate and cyclopentyldiphenyltinN,N-dimethylthiocarbamoylacetate

  摘要：

  Carboxylate bridges link two independent molecules of triphenyltin N,N-dimethylthiocarbamoylacetate, [Sn(C6H5)(3)(C5H8NO3S)]. into a helical chain {i.e. catena-poly[triphenyltin-mu-(N,N-dimethylthiocarbamoylacetato-O:O')]}, as do the carboxylate bridges in triphenyltin N,N-pentamethylenecarbamoylthioacetate, [Sn(C6H5)(3)(C8H12NO3S)] {i.e. catena-poly[triphenyltin-mu-(N,N-pentamethylenethiocarbamoylacetato-O:O')]} and cyclo-pentyldiphenyltin N, N-dimethylthiocarbamoylacetate, [Sn(C6H5)(2)(C5H9)(C5H8NO3S)] {i.e. carena-poly[cyclo-pentyldiphenyltin-mu-(N,N-dimethylthiocarbomoylacetato-O:O')]}.

  DOI：

  10.1107/s0108270199001286
• 作为产物：
  描述：

  4-thioxo-3-oxa-5-thia-heptanedioic acid-7-amide 、 二甲胺 以 水 为溶剂， 生成 <(Dimethylamino)(thiocarbonyl)oxy>essigsaeure
  参考文献：
  名称：

  Pluijgers,C.W.; Van Der Kerk,G.J.M., Recueil des Travaux Chimiques des Pays-Bas, 1961, vol. 80, p. 1089 - 1100

  摘要：

  DOI：

文献信息

• Gotthardt, Hans; Kinzelmann, Hans-Georg, Chemische Berichte, 1986, vol. 119, # 7, p. 2308 - 2316
  作者：Gotthardt, Hans、Kinzelmann, Hans-Georg

  DOI：——

  日期：——
• Matell,M., Acta Chemica Scandinavica (1947), 1960, vol. 14, p. 677 - 682
  作者：Matell,M.

  DOI：——

  日期：——
• GOTTHARDT H.; KINZELMANN H. -G., CHEM. BER., 119,(1986) N 7, 2308-2316
  作者：GOTTHARDT H.、 KINZELMANN H. -G.

  DOI：——

  日期：——
• Pluijgers,C.W.; Van Der Kerk,G.J.M., Recueil des Travaux Chimiques des Pays-Bas, 1961, vol. 80, p. 1089 - 1100
  作者：Pluijgers,C.W.、Van Der Kerk,G.J.M.

  DOI：——

  日期：——
• Triphenyltin<i>N</i>,<i>N</i>-dimethylthiocarbamoylacetate, triphenyltin<i>N</i>,<i>N</i>-pentamethylenecarbamoylthioacetate and cyclopentyldiphenyltin<i>N</i>,<i>N</i>-dimethylthiocarbamoylacetate
  作者：K. M. Lo、V. G. Kumar Das、S. W. Ng

  DOI：10.1107/s0108270199001286

  日期：1999.6.15

  Carboxylate bridges link two independent molecules of triphenyltin N,N-dimethylthiocarbamoylacetate, [Sn(C6H5)(3)(C5H8NO3S)]. into a helical chain i.e. catena-poly[triphenyltin-mu-(N,N-dimethylthiocarbamoylacetato-O:O')]}, as do the carboxylate bridges in triphenyltin N,N-pentamethylenecarbamoylthioacetate, [Sn(C6H5)(3)(C8H12NO3S)] i.e. catena-poly[triphenyltin-mu-(N,N-pentamethylenethiocarbamoylacetato-O:O')]} and cyclo-pentyldiphenyltin N, N-dimethylthiocarbamoylacetate, [Sn(C6H5)(2)(C5H9)(C5H8NO3S)] i.e. carena-poly[cyclo-pentyldiphenyltin-mu-(N,N-dimethylthiocarbomoylacetato-O:O')]}.