2,2-dimethylpropyl benzenethiosulfinate | 80319-00-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2,2-dimethylpropyl benzenethiosulfinate
• 英文别名: S-(2,2-dimethylpropyl) benzenethiosulfinate；neopentyl benzenethiosulfinate；Benzenethiosulfinic acid neopentyl ester；Benzenesulfinothioic acid, S-(2,2-dimethylpropyl) ester；2,2-dimethylpropylsulfanylsulfinylbenzene
• CAS: 80319-00-2
• 化学式: C₁₁H₁₆OS₂
• 分子量: 228.379
• InChiKey: FXMFAMFGZQNJNW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  61.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2,2-dimethylpropyl benzenethiosulfinate 在 acid sodium periodate 作用下， 以 水 、 乙腈 为溶剂， 以100%的产率得到S-(2,2-dimethylpropyl) benzenethiosulfonate
  参考文献：
  名称：

  Chemical ionization and electron impact mass spectra of thiosulfinates, thiosulfonates and sulfinyl sulfones

  摘要：

  AbstractThe chemical ionization and electron impact mass spectra of some thiosulfinates, thiosulfonates and sulfinyl sulfones have been studied. The electron impact mass spectra of four of the six thiosulfonates show molecular ions of less than 1%. Inconclusive evidence was obtained for sulfenyl sulfinate type intermediates in the electron impact spectra of thiosulfonates. The electron impact spectra of thiosulfonates were similar to those of thiosulfonates. The chemical ionization (isobutane) mass spectra of thiosulfinates and thiosulfonates generally show protonated molecular ions [MH]+as base peaks and [MH+1]+and [MH+2]+peaks.

  DOI：

  10.1002/oms.1210170303
• 作为产物：
  描述：

  2,2-二甲基丙硫醇 、 benzenesulfinyl azide 以 乙腈 为溶剂， 以63%的产率得到2,2-dimethylpropyl benzenethiosulfinate
  参考文献：
  名称：

  Reaction of benzenesulfinyl azide with thiols and amines. Preparation of thiosulfinates and sulfinamides

  摘要：

  DOI：

  10.1021/jo00185a017

文献信息

• m-Chloroperoxybenzoic acid oxidation of S-phenyl 2,2-dimethylpropanethiosulfinate
  作者：Fillmore Freeman、Christos N. Angeletakis、Tom J. Maricich

  DOI：10.1021/jo00139a004

  日期：1982.8
• FREEMAN, F.;ANGELETAKIS, C. N.;MARICICH, T. J., J. ORG. CHEM., 1982, 47, N 18, 3403-3408
  作者：FREEMAN, F.、ANGELETAKIS, C. N.、MARICICH, T. J.

  DOI：——

  日期：——
• MARICICH, T. J.;ANGELETAKIS, C. N., J. ORG. CHEM., 1984, 49, N 11, 1931-1934
  作者：MARICICH, T. J.、ANGELETAKIS, C. N.

  DOI：——

  日期：——
• Reaction of benzenesulfinyl azide with thiols and amines. Preparation of thiosulfinates and sulfinamides
  作者：Tom J. Maricich、Christos N. Angeletakis

  DOI：10.1021/jo00185a017

  日期：1984.6
• Chemical ionization and electron impact mass spectra of thiosulfinates, thiosulfonates and sulfinyl sulfones
  作者：Fillmore Freeman、Christos N. Angeletakis

  DOI：10.1002/oms.1210170303

  日期：1982.3

  AbstractThe chemical ionization and electron impact mass spectra of some thiosulfinates, thiosulfonates and sulfinyl sulfones have been studied. The electron impact mass spectra of four of the six thiosulfonates show molecular ions of less than 1%. Inconclusive evidence was obtained for sulfenyl sulfinate type intermediates in the electron impact spectra of thiosulfonates. The electron impact spectra of thiosulfonates were similar to those of thiosulfonates. The chemical ionization (isobutane) mass spectra of thiosulfinates and thiosulfonates generally show protonated molecular ions [MH]+as base peaks and [MH+1]+and [MH+2]+peaks.