cyclohexanethiolato-thallium(I) | 145703-75-9

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 英文名称: cyclohexanethiolato-thallium(I)
• 英文别名: thallium cyclohexylthiolate；TlSCy
• CAS: 145703-75-9
• 化学式: C₆H₁₁S*Tl
• 分子量: 319.602
• InChiKey: BOJZFAWVXQCAFK-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  1.49
• 重原子数：
  8.0
• 可旋转键数：
  0.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  cyclohexanethiolato-thallium(I) 、 [Me2NN]ZnCl2Li(THF)3*nTHF 以 四氢呋喃 为溶剂， 以44%的产率得到([Me2NN]Zn(μ-SCy))2
  参考文献：
  名称：

  S-nitrosothiol and nitric oxide reactivity at β-diketiminato zinc thiolates

  摘要：

  The beta-diketiminato zinc halide [Me2NN]ZnCl2Li(THF)(3) (1) is prepared in 51% isolated yield by addition of the lithium beta-diketiminate Li[Me2NN] to ZnCl2 in THF. Reaction of 1 with 2 equiv. of the thallium thiolate TISCy provides {[Me2NN]Zn(mu-SCY)(2)TI}(2) (2), a TISCy adduct of [Me2NN]ZnSCy, as colorless crystals in 51% yield. Reaction of 1 with 1 equiv. TlSR provides the dinuclear {[Me2NN]Zn(mu-SR)}(2) (R = Cy (3), Bu-t (4)) which possess unsymmetrically bridging thiolate ligands with pairs of dissimilar Zn-S distances in the solid state (2.350(3) and 2.417(3) angstrom for 3; 2.312(1) and 2.415(1) angstrom for 4). Reaction of 1 with LiSCPh3 results in the mononuclear zinc thiolates [Me2NN]ZnSCPh3(THF) (5) and [Me2NN]ZnSCPh3 (6) with shorter, but similar Zn-SR distances of 2.225(2) and 2.214(1) angstrom. Variable temperature H-1 NMR studies of 3 and 4 in CDCl3 Suggest that the aliphatic thiolates exist predominately as monomeric species in solution near room temperature, though at -50 degrees C two different beta-diketiminato species are observed for 3. Thiolate exchange among 3, 4, and 6 also takes place on the NMR timescale near room temperature. Both 4 and 6 undergo transnitrosylation with CySNO in CDCl3 to give {[Me2NN]ZnSCy}(2) (3) and the corresponding S-nitrosothiol (BuSNO)-Bu-t or Ph3CSNO. Nitric oxide does not react with 4 or 6 under anaerobic conditions, but in the presence of O-2, NO cleaves the zinc-thiolate bond of 4 to rapidly give (BuSNO)-Bu-t. Similarly, anaerobic NO2 reacts with 4 to give (BuSNO)-Bu-t providing insight into the active nitrogen oxide species capable of cleaving Zn-SR bonds. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2006.07.049
• 作为产物：
  描述：

  thallium(I) carbonate 、 sodium cyclohexanethiolate 以 乙醇 为溶剂， 以32%的产率得到cyclohexanethiolato-thallium(I)
  参考文献：
  名称：

  Krebs, B.; Broemmelhaus, A.; Kersting, B., European Journal of Solid State and Inorganic Chemistry

  摘要：

  DOI：

文献信息

• <i>S</i>-Nitrosothiol and Nitric Oxide Reactivity at Zinc Thiolates
  作者：Matthew S. Varonka、Timothy H. Warren

  DOI：10.1021/ic900664r

  日期：2009.7.6

  S-Nitrosothiols undergo reversible transnitrosation reactions at tris (pyrazolyl)boratozinc thiolates (iPr2)TpZn-SR. These zinc thiolates are unreactive toward anaerobic NO but rapidly react with NO in the presence of O-2 or anaerobically with NO2 to release the S-nitrosothiol RSNO with formation of the corresponding zinc nitrate.