| 229309-66-4

• CAS: 229309-66-4
• 化学式: C₂₁H₂₂NOS₂Y
• 分子量: 457.45
• InChiKey: ZATJPQDYGHGSMS-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  tri(cyclopentadienyl)yttrium 、 2-巯基苯并噻唑 以 四氢呋喃 为溶剂， 以75.05%的产率得到
  参考文献：
  名称：

  Synthesis and characterization of biscyclopentadienyllanthanide benzothiazole-2-thiolates. X-ray crystal structures of Cp2Ln(SBT)(THF) (Ln=Yb, Dy)

  摘要：

  Cp(3)Ln (Cp=C5H5, Ln=Yb, Dy, Sm, Y) reacts with an equimolar amount of 2-mercapto-benzothiazole (HSBT) in THF at room temperature to give Cp(2)Ln(SBT)(THF) [Ln=Yb(1), Dy(2), Sm(3), Y(4)]. All these complexes have been characterized by elemental analysis, IR and MS spectra, indicating they are solvated monomeric structures. The crystal structural analysis shows that in complexes 1 and 2 each lanthanide ion is coordinated by two (5)-cyclopentadienyl groups, one oxygen atom of THF, one sulfur and one nitrogen atoms from the chelating benzothiazole-2-thiolate ligand to form a distorted trigonal-bipyramidal geometry with coordination number nine. The Ln-S bond length is the longest value found in organolanthanide complexes containing the Ln-S bond up to now. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(99)00026-1