(ethanethiolato)(3-thiapentane-1,5-dithiolato)oxorhenium(V) | 163231-15-0

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 英文名称: (ethanethiolato)(3-thiapentane-1,5-dithiolato)oxorhenium(V)
• 英文别名: [Re(3-thiapentane-1,5-dithiolate)(SEt)]
• CAS: 163231-15-0
• 化学式: C₆H₁₃OReS₄
• 分子量: 415.64
• InChiKey: WNKSBVWYQBBWIA-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  1.25
• 重原子数：
  12.0
• 可旋转键数：
  2.0
• 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 、 chloro(3-thiapentane-1,5-dithiolato)oxorhenium(V) 以 乙腈 为溶剂， 以80%的产率得到(ethanethiolato)(3-thiapentane-1,5-dithiolato)oxorhenium(V)
  参考文献：
  名称：

  Synthesis and molecular structure of chloro(3-thiapentane-1,5-dithiolato)oxorhenium(V)

  摘要：

  Reaction of [BzEt(3)N][ReOCl4] (1) with 0.9 equiv, of 3-thiapentane 1,5-dithiol (HSSSH) in chloroform delivers [ReO(SSS)Cl] (2). The chloro ligand can be substituted by mercaptides when 2 is heated with an excess of a mercaptane, e.g. C2H5SH, in acetonitrile. Single crystal X-ray analysis of 2 shows square-pyramidal geometry.

  DOI：

  10.1016/0020-1693(94)04351-u

文献信息

• Neutral oxorhenium(V) complexes with tridentate dithiolates and monodentate alkane- or arene-thiolate coligands
  作者：Hartmut Spies、Thomas Fietz、Hans-J�rgen Pietzsch、Bernd Johannsen、Peter Leibnitz、G�nter Reck、Dieter Scheller、Klaus Klostermann

  DOI：10.1039/dt9950002277

  日期：——

  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.