4-(4-chlorophenyl)-1,2,3,5-dithiadiazolium chloride | 87512-51-4

• 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: 4-(4-chlorophenyl)-1,2,3,5-dithiadiazolium chloride
• 英文别名: 4-(4-chlorophenyl)-1,2-dithia-3,5-diazolium chloride；4-(4-chlorophenyl)-1,2,3,5-dithiadiazol-1-ium;chloride
• CAS: 87512-51-4
• 化学式: C₇H₄ClN₂S₂*Cl
• 分子量: 251.16
• InChiKey: LHEXGTARIMVVCQ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.21
• 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：
  82.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-(4-chlorophenyl)-1,2,3,5-dithiadiazolium chloride 在 氧气 、 三苯基锑 作用下， 生成
  参考文献：
  名称：

  Boere, Rene T.; Larsen, Karen; Fait, James, Phosphorus, Sulfur and Silicon and the Related Elements, 1992, vol. 65, # 1.4, p. 143 - 146

  摘要：

  DOI：
• 作为产物：
  描述：

  4-chloro-N,N,N'-tris(trimethylsilyl)benzenecarboximidamide 在 二氯化硫 作用下， 以 乙腈 为溶剂， 以80%的产率得到4-(4-chlorophenyl)-1,2,3,5-dithiadiazolium chloride
  参考文献：
  名称：

  Boere, Rene T.; Moock, Klaus H.; Derrick, Sean, Canadian Journal of Chemistry, 1993, vol. 71, # 4, p. 473 - 486

  摘要：

  DOI：

文献信息

• Banister, Arthur J.; Smith, Nigel R. M.; Hey, Richard G., Journal of the Chemical Society. Perkin transactions I, 1983, p. 1181 - 1186
  作者：Banister, Arthur J.、Smith, Nigel R. M.、Hey, Richard G.

  DOI：——

  日期：——
• Structures of [PhCNSSN]2[Pt(mnt)2] and [(p-ClC6H4CNSSN)2Cl][Pt(mnt)2] (mnt = maleonitriledithiolato ligand)
  作者：W. Clegg、S. L. Birkby、A. J. Banister、J. M. Rawson、S. T. Wait、P. Rizkallah、M. M. Harding、A. J. Blake

  DOI：10.1107/s0108270193006651

  日期：1994.1.15

  4-Phenyl-1,2-dithia-3,5-diazolium bis(maleonitriledithi-olato)platinum(II), [PhCNSSM]2[Pt(mnt)2] (1), and bis-[4-(4-chlorophenyl)-1,2-dithia-3,5-diazolium] chloride-bis(maleonitriledithiolato)platinum(III), [(P-ClC6H4-CNSSN)2Cl][Pt(mnt)2] (2), contain essentially planar [Pt(mnt)2]n- anions [n = 2 for complex (1), n = 1 for complex (2)], with square-planar coordination of Pt. The Pt-S bonds are slightly, but significantly, shorter for the Pt(III) complex (2). The cations contain planar CNSSN five-membered rings with an aryl substituent Ar (Ph or P-ClC6H4) on C. In (1), the cations are discrete, but in (2), they are associated in pairs with a Cl- anion to give an approximately planar [(ArCNSSN)2Cl]+ cationic unit, with S ... Cl contacts in the range 2.845 (3)-2.970 (4) angstrom. In (1), the cations and anions are arranged all parallel in mixed cation-anion stacks, each anion being sandwiched between two cations. In (2), the cations and anions form sheets which are buckled into an unusual wave-like configuration.