oxadisulfane-d2 | 586343-16-0

• 英文名称: oxadisulfane-d2
• CAS: 586343-16-0
• 化学式: H₂OS
• 分子量: 52.0654
• InChiKey: RVEZZJVBDQCTEF-ZSJDYOACSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.39
• 重原子数：
  2.0
• 可旋转键数：
  1.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  20.23
• 氢给体数：
  2.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  重水 、 硫化氘 以 重水 为溶剂， 生成 oxadisulfane-d2
  参考文献：
  名称：

  Asymmetric rotor analysis of DSOD spectra up to the rQ3 branch near 653GHz

  摘要：

  We report the unequivocal identification of the (r)Q(3) branch of perdeutero oxadisulfane, DSOD, which has been produced in a discharge of D2S together with D2O. By employing the Cologne Terahertz Spectrometer, we have located the band center near 653 GHz, in very close agreement with earlier results deduced from the (r)Q(0) and (r)Q(2) branches. The A(0), B-0, and C-0 rotational constants have been determined by carrying out an asymmetric rotor least squares fit with all presently available data, including new R- and P-branch lines. Both, b- and c-type transitions have been observed and the relative dipole moment mu(c)/mu(b) has been determined from relative line strengths. All results agree very well with quantum chemically calculated values. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2005.01.039