Quecksilber(II)-thiolbenzoat | 16162-53-1

• 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: Quecksilber(II)-thiolbenzoat
• 英文别名: Quecksilber(II)-thionobenzoat；mercury thiobenzoate；mercury bis(thiobenzoate)；thiobenzoic acid ; mercury (II)-compound；Thiobenzoesaeure; Quecksilber(II)-Verbindung；Hg(thiobenzoato)2
• CAS: 16162-53-1
• 化学式: C₁₄H₁₀HgO₂S₂
• 分子量: 474.954
• InChiKey: SBTINZILMMPSQZ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  1.37
• 重原子数：
  10.0
• 可旋转键数：
  1.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  17.07
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  Quecksilber(II)-thiolbenzoat 、 苯次磺酰氯 以 二氯甲烷 为溶剂， 生成 benzoyl-phenyl-disulfane
  参考文献：
  名称：

  Reactions of mercuric salts with bis(diethylthiocarbamoyl) disulfide and benzenesulfenyl chloride

  摘要：

  DOI：

  10.1021/jo01270a016
• 作为产物：
  描述：

  tris(benzoylthio)arsine 在 氨 、 mercury dichloride 作用下， 生成 Quecksilber(II)-thiolbenzoat
  参考文献：
  名称：

  Rayman, Bulletin de la Societe Chimique de France, 1887, vol. <2> 47, p. 898

  摘要：

  DOI：

文献信息

• Synthesis, Structure, and Multi-NMR Studies of (Me₄N)[A{M(SC{O}Ph)₃}₂] (A = Na, M = Hg; A = K, M = Cd or Hg)
  作者：Theivanayagam C. Deivaraj、Philip A. W. Dean、Jagadese J. Vittal

  DOI：10.1021/ic0000810

  日期：2000.7.1

  The compounds (Me4N)[A(M(SC(O)Ph)3)2] (A = K, M = Cd (2); A = Na, M = Hg (3); and A = K, M = Hg (4)) were synthesized by reacting the appropriate metal chloride with A+PhC(O)S- and Me4NCl in the ratios 1:3:1 and 2:6:1. The structures of these compounds were determined by single-crystal X-ray diffraction methods. All the compounds are isomorphous, isostructural, and crystallized in the space group P1

  化合物（Me4N）[A（M（SC（O）Ph）3）2]（A = K，M = Cd（2）； A = Na，M = Hg（3）；以及A = K，M =通过使适当的金属氯化物与A + PhC（O）S-和Me4NCl以1：3：1和2：6：1的比例反应合成Hg（4）。这些化合物的结构通过单晶X射线衍射法确定。所有化合物都是同构的，同构的，在Z = 1的空间群P1中结晶。2的单晶数据：a = 106670（2）A，b = 111522（2）A，c = 119294（2）A ，α= 71782（1）度，β= 85208（1）度，γ= 69418（1）度，V = 126140（4）A3，Dcalc = 1528 g cm-3。3的单晶数据：a = 10840（2）A，b = 10946（4）A，c = 12006（3）A，alpha = 7218（2）度，beta = 8675（2）度，gamma = 6743
• Kato, Shinzi; Hattori, Eiji; Sato, Hiroyuki, Zeitschrift fur Naturforschung, Teil B: Anorganische Chemie, Organische Chemie, 1981, vol. 36, # 7, p. 783 - 790
  作者：Kato, Shinzi、Hattori, Eiji、Sato, Hiroyuki、Mizuta, Masateru、Ishida, Masaru

  DOI：——

  日期：——
• Synthesis, NMR (13C, 111Cd, 199Hg) spectra and structures of (Ph4As)2[Hg2Cl4(SC(O)Ph)2] and (Ph4As)2[CdCl4Hg(SC(O)Ph)2]
  作者：Jagadese J. Vittal、Philip A.W. Dean

  DOI：10.1016/s0277-5387(97)00530-5

  日期：1998.5

  Combination of Ph4AsCl . H2O, Hg(SC(O)Ph)(2) and HgCl2 or CdCl2 . 2.5H(2)O in the required stoichiometric ratio gives (Ph4As)(2)[MCl4Hg(SC(O)Ph)(2)], M = Hg (1) or Cd (2). Crystals of 1 were also isolated in an unsuccessful attempt to prepare the complex (Ph4As)[NaHg(SC(O)Ph)(3)}(2)]. X-ray crystallographic analyses of 1 and 2 show both to contain a Hg(II) bonded to two thiobenzoate ligands with a near-linear S-Hg-S skeleton. The S-Hg-S angle is 174.9(2)degrees in 1 and 175.4(1)degrees in 2. In each, the Hg(SC(O)Ph)(2) moiety is involved in weak interactions with two chlorine atoms from [MCl4](2-). Mercury-199 and Cd-111 NMR spectral studies indicate that the Hg(SC(O)Ph)(2) remains intact in solution, and that scrambling or transfer of ligands between the linear and tetrahedral metal centres does not occur. Carbon-13 and Hg-199 NMR data are reported for Hg(SC(O)Ph)(2). (C) 1998 Published by Elsevier Science Ltd. All rights reserved.
• Solvent dependent crystallization of a few Hg(II) thiocarboxylates
  作者：Suryabhan Singh、Jyotsna Chaturvedi、Subrato Bhattacharya

  DOI：10.1016/j.ica.2012.01.039

  日期：2012.4

  During the process of crystallization of newly synthesized heterobimetallic complexes [(Ph3P)(2)Cu (mu-SCOR)(2)Hg(SCOR)] [R = Ph (1), th (thiophene) (2)] Hg(II) thiocarboxylate complexes were isolated. In chloroform/diethyl ether a phosphine migration led to the formation of Hg(Ph3P)(SCOPh)(2) (3) and Hg(Ph3P)(SCOth)(2) (4) while in chloroform/n-hexane the binary Hg(II) complexes, Hg(SCOPh)(2) (5) and Hg(SCOth)(2) (6) were isolated. In another reaction a heterobimetallic complex, Hg(SCOPh)(2)TiCl4 (7) was obtained as the end product. Molecular structures of 3, 4 and 6 were studied by single crystal X-ray diffraction. The crystals of 4 provided an interesting example of polytopal isomerism. Structures and electronic transitions have been explained on the basis of DFT calculations. (C) 2012 Elsevier B.V. All rights reserved.