Thiocyanic acid, zinc salt, dihydrate | 21058-17-3

• 分子结构分类: 有机化合物 - 有机硫化合物
• 英文名称: Thiocyanic acid, zinc salt, dihydrate
• 英文别名: thiocyanic acid ; zinc thiocyanate dihydrate；Thiocyansaeure; Zinkthiocyanat-dihydrat；Zink(II)-thiocyanat
• CAS: 21058-17-3；130136-17-3
• 化学式: 2CNS*2H₂O*Zn
• 分子量: 217.588
• InChiKey: FEVGKNPTCGNTLZ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.81
• 重原子数：
  5.0
• 可旋转键数：
  0.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  55.29
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  mercury(II) thiocyanate 、 Thiocyanic acid, zinc salt, dihydrate 以 水 为溶剂， 生成 zinc mercury tetrakis(thiocyanate)
  参考文献：
  名称：

  Spectroscopic and thermal behavior of ZnHg(SCN)4

  摘要：

  The synthesis and purification of zinc mercury thiocyanate, ZnHg(SCN)(4) (ZMTC), are described. The identity of the synthesized compound was characterized by elemental analysis, X-ray powder diffraction, infrared, Raman, and UV/Vis/NIR transmission spectra. The thermal stability and thermal decomposition of ZMTC crystal were investigated by means of thermogravimetric analysis (TGA) and differential scanning calorimetry (DSC) measurements. The intermediates and final products of the thermal decomposition were identified by X-ray powder diffraction (XRPD). (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0025-5408(02)00859-0
• 作为产物：
  描述：

  barium thiocyanate 、 zinc(II) sulfate 生成 Thiocyanic acid, zinc salt, dihydrate
  参考文献：
  名称：

  Wells, American Chemical Journal, 1902, vol. 28, p. 268

  摘要：

  DOI：

文献信息

• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Zn: MVol., 96, page 257 - 259
  作者：

  DOI：——

  日期：——
• Anion-tuned self-assembly of zinc(II)–fluconazole complexes: Crystal structures, luminescent and thermal properties
  作者：Lei Zhang、Yun Ling、Feng Peng、Miao Du

  DOI：10.1016/j.molstruc.2006.06.028

  日期：2007.3

  Four novel fluconazole-bridged Zn(II) complexes, [Zn(Flu)Cl-2(DMF)](2) (1), [Zn(HFlu)(2)(H2O)(2)](NO3)(2)center dot 2DMF}(n) (2), [Zn(HFlu)(2)(H2O)(2)](NO3)(2)}(n) (3) and [Zn(HFlu)(SCN)(2)]center dot H2O}(n) (4) [HFlu = 2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)-propan-2-ol], have been synthesized and structurally characterized by X-ray diffraction method. The structure of dimeric complex 1 consists of 20-membered macrometallacyclic ring-like structure, in which the Zn(II) ion is in a five-coordinated distorted trigonal bipyramidal geometry with the (ZnZn)-Zn-... distance of 10.265(3) angstrom across the cis HFlu ligand. Complex 2 shows infinite 1-D macrocyclic double chain structure with the central Zn(11) ions being six-coordinated by four HFlu ligands and two apical water molecules and with the intrachain (ZnZn)-Zn-... distance of 10.722(3) angstrom across the trans HFlu ligand. The crystal structure of complex 3 is analogous to that of complex 2 with the intrachain (ZnZn)-Zn-... distance of 10.654(2) angstrom. The structure of complex 4 consists of infinite 1-D coordination polymeric chain with the tetrahedral coordination geometry of Zn(II) ion and with the intrachain (ZnZn)-Zn-... distance of 11.173(2) angstrom across the cis HFlu ligand. Complexes 1-4 show the similar fluorescence emission to the free HFlu ligand at ambient temperature and the thermal stabilities of the complexes have also been investigated. (c) 2006 Elsevier B.V. All rights reserved.
• Zinc cadmium thiocyanate (ZCTC)
  作者：Y.-P. Tian、W.-T. Yu、Q. Fang、X.-Q. Wang、D.-R. Yuan、D. Xu、M.-H. Jiang

  DOI：10.1107/s0108270199007623

  日期：1999.9.15

  The title complex, zinc cadmium tetrathiocyanate, [ZnCd(SCN)(4)](n), contains slightly flattened ZnN4 and CdS4 tetrahedra. The -S=C=N- bridges connect Zn and Cd atoms, forming infinite three-dimensional -Cd-S=C=N-Zn- networks, and are essentially linear at C and N, but bent at S. The structure exhibits a high non-linear optical property, and physical and chemical stability.