1,2-phenylenebis(methylenethio)bis(5-methyl-1,3,4-thiadiazole) | 500989-01-5

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 1,2-phenylenebis(methylenethio)bis(5-methyl-1,3,4-thiadiazole)
• 英文别名: 1,3,4-Thiadiazole, 2,2'-[1,2-phenylenebis(methylenethio)]bis[5-methyl-；2-methyl-5-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]-1,3,4-thiadiazole
• CAS: 500989-01-5
• 化学式: C₁₄H₁₄N₄S₄
• mdl: MFCD05855374
• 分子量: 366.556
• InChiKey: RCCVYJHLDSADMV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  22
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  159
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  1,2-phenylenebis(methylenethio)bis(5-methyl-1,3,4-thiadiazole) 、 silver nitrate 以 甲醇 、 氯仿 为溶剂， 以55%的产率得到catena-poly[[(nitrato-κ2O,O')silver(I)]-μ-2,2'-[1,2-phenylenebis(methylenethio)]bis(5-methyl-1,3,4-thiadiazole)-κ2N3:N3']
  参考文献：
  名称：

  catena-Poly[[(nitrato-κ²O,O′)silver(I)]-μ-2,2′-[1,4-phenylenebis(methylenethio)]bis(5-methyl-1,3,4-thiadiazole)-κ²N³:N^3′]

  摘要：

  In the title complex, [Ag(NO3)(C14H14N4S4)](n), the Ag-I atom lies on a twofold axis and shows a distorted tetrahedral coordination, comprised of two N-atom donors from two thiadiazole groups of separate ligands and two O-atom donors from one nitrate ligand. Each bis(thioether) ligand also lies on a twofold axis and bridges two adjacent Ag atoms to form an infinite chain along the c axis, with an Ag...Ag separation of 11.462 (4) Angstrom. Adjacent one-dimensional chains are further linked into double-chain motifs through weak Ag...S and pi-pi stacking interactions.

  DOI：

  10.1107/s0108270104019183

文献信息

• <i>catena</i>-Poly[[(nitrato-κ²<i>O</i>,<i>O</i>′)silver(I)]-μ-2,2′-[1,4-phenylenebis(methylenethio)]bis(5-methyl-1,3,4-thiadiazole)-κ²<i>N</i>³:<i>N</i>^3′]
  作者：Yan Zheng

  DOI：10.1107/s0108270104019183

  日期：2004.10.15

  In the title complex, [Ag(NO3)(C14H14N4S4)](n), the Ag-I atom lies on a twofold axis and shows a distorted tetrahedral coordination, comprised of two N-atom donors from two thiadiazole groups of separate ligands and two O-atom donors from one nitrate ligand. Each bis(thioether) ligand also lies on a twofold axis and bridges two adjacent Ag atoms to form an infinite chain along the c axis, with an Ag...Ag separation of 11.462 (4) Angstrom. Adjacent one-dimensional chains are further linked into double-chain motifs through weak Ag...S and pi-pi stacking interactions.