[Re(3-thiapentane-1,5-dithiolate)(SMe)] | 166532-07-6

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 英文名称: [Re(3-thiapentane-1,5-dithiolate)(SMe)]
• CAS: 166532-07-6
• 化学式: C₅H₁₁OReS₄
• 分子量: 401.613
• InChiKey: VKWKKTUSHNWPJR-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  0.86
• 重原子数：
  11.0
• 可旋转键数：
  1.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  17.07
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  末端脱氧核苷酸转移酶 、 甲硫醇 、 在 triethylamine 作用下， 以 乙醇 为溶剂， 生成 [Re(3-thiapentane-1,5-dithiolate)(SMe)]
  参考文献：
  名称：

  Neutral oxorhenium(V) complexes with tridentate dithiolates and monodentate alkane- or arene-thiolate coligands

  摘要：

  Oxorhenium(v) complexes [ReO(SXS)(SR)] (where HSXSH = 3-thia- or 3-oxa-pentane-1,5-dithiol and RSH = alkane- or arene-thiol) have been synthesized by a ligand exchange reaction of [NEt(3)(CH(2)Ph)][ReOCl4] with a mixture of HSXSH and RSH in methanol-acetonitrile. The compounds were purified by column chromatography or preparative TLC and characterized by elemental analysis, infrared and H-1 NMR spectroscopy. The structure of (4-methoxybenzenethiolato)(3-oxapentane-1,5-dithiolato)oxorhenium(v) has been determined by X-ray crystallography. The co-ordination is square-pyramidal with the Re atom displaced from the basal plane by 0.728 Angstrom. Co-ordination of the ether group is indicated by the short Re-O(ether) bond distance of 2.103 Angstrom.

  DOI：

  10.1039/dt9950002277