thiobenzoic acid, cadmium-salt | 10220-71-0

• 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: thiobenzoic acid, cadmium-salt
• 英文别名: thiobenzoic acid ; cadmium-salt；Thiobenzoesaeure; Cadmium-Salz
• CAS: 10220-71-0
• 化学式: 2C₇H₅OS*Cd
• 分子量: 386.774
• InChiKey: HIRWCKJBASMFHJ-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：

  4,4'-联吡啶 、 thiobenzoic acid, cadmium-salt 以 N,N-二甲基甲酰胺 为溶剂， 以63%的产率得到[Cd(SC(O)Ph)2(μ-4,4'-bipyridine)]
  参考文献：
  名称：

  Coordination polymers of zinc and cadmium thiocarboxylates with 4,4′-bipyridine ligands

  摘要：

  The reaction of M(SC{O}R)(2) with 4,4'-bipyridine (bpy) in the ratio 1:1 gives [{M(SC{O}R)(2)(mu-bpy)}(n)] [R = Me, M = Zn (1) and Cd (2); R = Ph, M = Zn (3) and Cd (4)]. The compound [{Cd-2(SC{O}Ph)(4)(p-bpy)}(n)] (5) was obtained from Cd(SC{O}Ph)(2) and bpy in the ratio 2:1. The structures of 1, 3, 4 and 5 have been determined by X-ray crystallography. All these compounds have one-dimensional zigzag polymeric structures. In 5, the repeating unit has two Cd(II) bridged by S atoms of the two Ph{O}CS- ligands and each carbonyl oxygen atom of the bridging ligands is bonded to a Cd(II) atom so that the two PhC{O}S- anions have S-2, O bonding mode. Each Cd(II) is further attached to a chelating thiobenzoato ligand and bridged by a bpy ligand. The bridging nature of the thiobenzoate anion observed in 5 is hitherto unknown for Group 12 metal compounds. All the compounds decompose to the corresponding metal sulfides in nitrogen atmosphere, according to weight loss observed in TG. Compounds 1-3 provided cubic phases of the metal sulfides while 4 and 5 gave hexagonal CdS from pyrolysis as confirmed by XRD. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(02)01188-x
• 作为产物：
  描述：

  硫代苯甲酸 、 aqueous cadmium chloride 在 MgO 作用下， 以 甲醇 、 水 为溶剂， 以95%的产率得到thiobenzoic acid, cadmium-salt
  参考文献：
  名称：

  The Chemistry of Cadmium–Thiocarboxylate Derivatives: Synthesis, Structural Features, and Application As Single Source Precursors for Ternary Sulfides

  摘要：

  Novel heterobimetallic complexes [(PPh3)(2)Cu(mu-SCOPh)(2)Cd(SCOPh)] (2a), [(PPh3)(2)Cu(mu-SCOth)(2)Cd(SCOth)] (2b), [(PPh3)(2)Ag(mu-SCOth)(2)Cd(SCOth)] (3a), [(PPh3)(2)Ag(mu-SCOth)(2)Cd(H2O)(SCOth)] (3b), [(PPh3)(2)Ag(mu-SCOPh)(2)Cd(SCOPh)] (3c), and a bimetallic complex [PPh3Cd(mu-SCOth)SCOth](2) center dot CH2Cl2 (5) (th = thiophene) were prepared and characterized by single crystal X-ray diffraction analysis. A coordination polymer [Cd(SCOPh)(2)](n) (4) has also been characterized structurally that exhibited metal-like electrical conductivity. The heterobimetallic complexes on pyrolyzing under controlled conditions yielded ternary sulfides of composition CuCd7S8, CuCd10S11, Ag2Cd8S9, and Ag2Cd5S6, which have been characterized by SEM-EDX and X-ray diffractometry. Photophysical properties and electrical conductivities of the sulfides have also been studied.

  DOI：

  10.1021/ic200927w

文献信息

• The Chemistry of Cadmium–Thiocarboxylate Derivatives: Synthesis, Structural Features, and Application As Single Source Precursors for Ternary Sulfides
  作者：Jyotsna Chaturvedi、Suryabhan Singh、Subrato Bhattacharya、Heinrich Nöth

  DOI：10.1021/ic200927w

  日期：2011.10.17

  Novel heterobimetallic complexes [(PPh3)(2)Cu(mu-SCOPh)(2)Cd(SCOPh)] (2a), [(PPh3)(2)Cu(mu-SCOth)(2)Cd(SCOth)] (2b), [(PPh3)(2)Ag(mu-SCOth)(2)Cd(SCOth)] (3a), [(PPh3)(2)Ag(mu-SCOth)(2)Cd(H2O)(SCOth)] (3b), [(PPh3)(2)Ag(mu-SCOPh)(2)Cd(SCOPh)] (3c), and a bimetallic complex [PPh3Cd(mu-SCOth)SCOth](2) center dot CH2Cl2 (5) (th = thiophene) were prepared and characterized by single crystal X-ray diffraction analysis. A coordination polymer [Cd(SCOPh)(2)](n) (4) has also been characterized structurally that exhibited metal-like electrical conductivity. The heterobimetallic complexes on pyrolyzing under controlled conditions yielded ternary sulfides of composition CuCd7S8, CuCd10S11, Ag2Cd8S9, and Ag2Cd5S6, which have been characterized by SEM-EDX and X-ray diffractometry. Photophysical properties and electrical conductivities of the sulfides have also been studied.
• Coordination polymers of zinc and cadmium thiocarboxylates with 4,4′-bipyridine ligands
  作者：Jagadese J. Vittal、Jeyagowry T. Sampanthar、Zheng Lu

  DOI：10.1016/s0020-1693(02)01188-x

  日期：2003.1

  The reaction of M(SCO}R)(2) with 4,4'-bipyridine (bpy) in the ratio 1:1 gives [M(SCO}R)(2)(mu-bpy)}(n)] [R = Me, M = Zn (1) and Cd (2); R = Ph, M = Zn (3) and Cd (4)]. The compound [Cd-2(SCO}Ph)(4)(p-bpy)}(n)] (5) was obtained from Cd(SCO}Ph)(2) and bpy in the ratio 2:1. The structures of 1, 3, 4 and 5 have been determined by X-ray crystallography. All these compounds have one-dimensional zigzag polymeric structures. In 5, the repeating unit has two Cd(II) bridged by S atoms of the two PhO}CS- ligands and each carbonyl oxygen atom of the bridging ligands is bonded to a Cd(II) atom so that the two PhCO}S- anions have S-2, O bonding mode. Each Cd(II) is further attached to a chelating thiobenzoato ligand and bridged by a bpy ligand. The bridging nature of the thiobenzoate anion observed in 5 is hitherto unknown for Group 12 metal compounds. All the compounds decompose to the corresponding metal sulfides in nitrogen atmosphere, according to weight loss observed in TG. Compounds 1-3 provided cubic phases of the metal sulfides while 4 and 5 gave hexagonal CdS from pyrolysis as confirmed by XRD. (C) 2002 Elsevier Science B.V. All rights reserved.