2,2'-[1,4-phenylenebis(methylenethio)]bisthiazole | 501676-71-7

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2,2'-[1,4-phenylenebis(methylenethio)]bisthiazole
• 英文别名: Thiazole, 2,2'-[1,4-phenylenebis(methylenethio)]bis-；2-[[4-(1,3-thiazol-2-ylsulfanylmethyl)phenyl]methylsulfanyl]-1,3-thiazole
• CAS: 501676-71-7
• 化学式: C₁₄H₁₂N₂S₄
• 分子量: 336.527
• InChiKey: BKOJSSTWFOZTSI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  133
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  乙醇 、 silver nitrate 、 2,2'-[1,4-phenylenebis(methylenethio)]bisthiazole 以 氯仿 、 乙腈 为溶剂， 以33%的产率得到([Ag2(2,2'-[(1,4-phenylenebis(methylenethio)]bisthiazole)(NO3)2](EtOH))n
  参考文献：
  名称：

  Synthesis and crystal structure of an Ag(I) complex of 2,2′-[1,4-phenylenebis(methylenethio)]bisthiazole with two-dimensional framework

  摘要：

  A new thiazolylthioether complex, {[Ag2L(NO3)(2)](EtOH)}(infinity) (1), has been prepared through the reaction of 2,2'-[1,4-phenylenebis (methylenethio)]bisthiazole (L) and AgNO3 and structurally characterized by single-crystal X-ray diffraction analyses. The result reveals that the complex crystallizes in triclinic space group P-1, with a = 5.452(2), b = 10.382(4), c = 10.551(4) Angstrom, alpha = 80.679(6), beta = 82.296(7), gamma = 87.125(7)degrees, and Z = 1. The Ag(l) atom in the 2D network adopts a distorted tetrahedral geometry composed of two 0 donors from two distinct nitrate anions, one S donor from one ligand and one N donor from another ligand, and there exist apparent Ag-Ag interactions. The 2D brick networks are further connected to form an extended 3D structure through intermolecular C-H... 0 hydrogen bonds. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2004.04.006