sodium 4-(4-chlorophenyl)-2-phenylthiazoleacetate | 96593-16-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: sodium 4-(4-chlorophenyl)-2-phenylthiazoleacetate
• 英文别名: Fentiazac sodium salt；sodium;2-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]acetate
• CAS: 96593-16-7
• 化学式: C₁₇H₁₁ClNO₂S*Na
• 分子量: 351.789
• InChiKey: BGPAPLSVPJLNMH-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.43
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  81.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  sodium 4-(4-chlorophenyl)-2-phenylthiazoleacetate 、 三甲基氯化锡 、 水 以 乙醇 为溶剂， 生成 aqua[4-(4-chlorophenyl)-2-phenylthiazole-5-acetato-O]trimethyltin(IV)
  参考文献：
  名称：

  Aqua[4-(4-chlorophenyl)-2-phenylthiazole-5-acetato-O]trimethyltin(IV)

  摘要：

  The crystal structure of the title compound, [Sn(CH3)(3)(C17H11ClNO2S)(H2O)], contains hydrogen-bonded infinite planes, wherein each trimethyltin moiety is coordinated to a water molecule and an O atom of the carboxylate ligand. The Sn atom has a distorted trigonal-bipyramidal geometry with three methyl groups in the equatorial plane [mean Sn-C 2.114(7) Angstrom]. The O atoms bonded to the Sn atom in the axial positions have significantly different Sn-O bond lengths [2.167(4) and 2.490 (4) Angstrom].

  DOI：

  10.1107/s0108270199005120

文献信息

• Aqua[4-(4-chlorophenyl)-2-phenylthiazole-5-acetato-<i>O</i>]trimethyltin(IV)
  作者：M. Parvez、S. Ali、M. Mazhar、M. H. Bhatti、M. N. Khokhar

  DOI：10.1107/s0108270199005120

  日期：1999.8.15

  The crystal structure of the title compound, [Sn(CH3)(3)(C17H11ClNO2S)(H2O)], contains hydrogen-bonded infinite planes, wherein each trimethyltin moiety is coordinated to a water molecule and an O atom of the carboxylate ligand. The Sn atom has a distorted trigonal-bipyramidal geometry with three methyl groups in the equatorial plane [mean Sn-C 2.114(7) Angstrom]. The O atoms bonded to the Sn atom in the axial positions have significantly different Sn-O bond lengths [2.167(4) and 2.490 (4) Angstrom].