N-(fluorosulfonyl) imidosulfuryl fluoride | 16761-70-9

• 分子结构分类: 无机化合物 - 均质非金属化合物 - 卤代有机物
• 英文名称: N-(fluorosulfonyl) imidosulfuryl fluoride
• 英文别名: N-(Fluorosulfonyl)imidosulfuryl fluoride；N-[difluoro(oxo)-λ6-sulfanylidene]sulfamoyl fluoride
• CAS: 16761-70-9
• 化学式: F₃NO₃S₂
• 分子量: 183.132
• InChiKey: IQGOJPNNXMZJQR-UHFFFAOYSA-N

物化性质

• 密度：
  2.05±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  80.3
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  四氟化亚砜 、 sulfamoyl fluoride 在 NaF 作用下， 生成 N-(fluorosulfonyl) imidosulfuryl fluoride
  参考文献：
  名称：

  Spectroscopic and theoretical studies of sulfamoil fluoride, FSO2NH2 and N-(fluorosulfonyl) imidosulfuryl fluoride, FSO2NS(O)F2

  摘要：

  FT-IR and Raman spectra of sulfamoil fluoride, FSO2NH2, and N-(fluorosulfonyl) imidosulfuryl fluoride, FSO2NS(O)F-2, were obtained. The experimental data are compared to results of ab initio and density functional theory (DFT) calculations. According to the theoretical studies the main conformer of FSO2NH2 possesses anti conformation (F-S single bond in anti position with respect to the nitrogen lone pair). The vibrational spectra do not confirm the presence of a second conformer in the gas and liquid phases. They have been interpreted on the basis of C-s symmetry. The Raman spectra of the liquid and the gas infrared spectra of FSO2NS(O)F-2 have been interpreted in the terms of the existence of a single conformation possessing C-1 symmetry, as determined previously by gas electron diffraction (GED). An assignment of the observed bands is proposed for both molecules. (C) 2003 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/s0022-2860(03)00407-1
• 作为试剂：
  描述：

  二甲基亚磺酰亚胺 在 N-(fluorosulfonyl) imidosulfuryl fluoride 作用下， 以 乙醚 为溶剂， 生成 N-(fluoro-fluorosulfonylimino-oxo-λ⁶-sulfanyl)-S,S-dimethyl-sulfoximide
  参考文献：
  名称：

  Roesky,H.W.; Tutkunkardes,S., Chemische Berichte, 1971, vol. 104, p. 1655 - 1659

  摘要：

  DOI：

文献信息

• Meier, Thomas; Mews, Ruediger, Chemische Berichte, 1993, vol. 126, p. 2437 - 2444
  作者：Meier, Thomas、Mews, Ruediger

  DOI：——

  日期：——
• Spectroscopic and theoretical studies of sulfamoil fluoride, FSO2NH2 and N-(fluorosulfonyl) imidosulfuryl fluoride, FSO2NS(O)F2
  作者：Rosa M.S. Álvarez、Marta I. Mora Valdez、Carlos O. Della Védova、Edgardo H. Cutin

  DOI：10.1016/s0022-2860(03)00407-1

  日期：2003.9

  FT-IR and Raman spectra of sulfamoil fluoride, FSO2NH2, and N-(fluorosulfonyl) imidosulfuryl fluoride, FSO2NS(O)F-2, were obtained. The experimental data are compared to results of ab initio and density functional theory (DFT) calculations. According to the theoretical studies the main conformer of FSO2NH2 possesses anti conformation (F-S single bond in anti position with respect to the nitrogen lone pair). The vibrational spectra do not confirm the presence of a second conformer in the gas and liquid phases. They have been interpreted on the basis of C-s symmetry. The Raman spectra of the liquid and the gas infrared spectra of FSO2NS(O)F-2 have been interpreted in the terms of the existence of a single conformation possessing C-1 symmetry, as determined previously by gas electron diffraction (GED). An assignment of the observed bands is proposed for both molecules. (C) 2003 Elsevier B.V. All rights reserved.