| 128183-96-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 128183-96-0
• 化学式: C₁₅H₁₃NO₃S
• 分子量: 287.339
• InChiKey: DIXJBYQVHLCQRO-ZHACJKMWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.37
• 重原子数：
  20.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  52.37
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  1-(4-methoxyphenyl)-2-[(2-nitrophenyl)thio]ethanone 在 sodium tetrahydroborate 、 硫酸 作用下， 生成
  参考文献：
  名称：

  Ortho effects in organic molecules on electron impact part 22. Competing oxygen transfers from the nitro group to sulphur and the olefinic double bond in 2-nitrophenyl styryl sulphides

  摘要：

  AbstractDouble oxygen migration to sulphur from the ortho‐nitro group leading to eliminations of SO2 and ·SO2H from the molecular ions and single oxygen transfer to the olefinic double bond in the side‐chain giving rise to the most abundant ion at m/z 138 have been observed in 2‐nitrophenyl styryl sulphides on electron impact. The proposed fragmentation mechanisms and the product ion structures were confirmed with the aid of high‐resolution data, B/E linked scan and CID spectra.

  DOI：

  10.1002/oms.1210250308

文献信息

• Ortho effects in organic molecules on electron impact part 22. Competing oxygen transfers from the nitro group to sulphur and the olefinic double bond in 2-nitrophenyl styryl sulphides
  作者：D. V. Ramana、N. Sundaram、M. George

  DOI：10.1002/oms.1210250308

  日期：1990.3

  AbstractDouble oxygen migration to sulphur from the ortho‐nitro group leading to eliminations of SO2 and ·SO2H from the molecular ions and single oxygen transfer to the olefinic double bond in the side‐chain giving rise to the most abundant ion at m/z 138 have been observed in 2‐nitrophenyl styryl sulphides on electron impact. The proposed fragmentation mechanisms and the product ion structures were confirmed with the aid of high‐resolution data, B/E linked scan and CID spectra.