S-(2,2-dimethylpropyl) benzenethiosulfonate | 80319-02-4

• 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: S-(2,2-dimethylpropyl) benzenethiosulfonate
• 英文别名: S-2,2-dimethylpropyl benzenesulfonothioate；2,2-dimethylpropyl benzenethiosulfonate；Phenylthiosulfonic acid neopentyl ester；S-(2,2-Dimethyl)propyl benzenethiosulfonate；2,2-Dimethylpropylsulfanylsulfonylbenzene
• CAS: 80319-02-4
• 化学式: C₁₁H₁₆O₂S₂
• 分子量: 244.379
• InChiKey: NZSYRGRGBWVCBA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  15
• 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：
  67.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  S-(2,2-dimethylpropyl) benzenethiosulfonate 、 苯硫酚 在 吡啶 作用下， 以 乙醚 为溶剂， 反应 2.5h， 生成 2,2-dimethylpropyl phenyl disulfide
  参考文献：
  名称：

  Formation of elusive vic-disulfoxides and OS-sulfenyl sulfinates during the m-chloroperoxybenzoic acid (MCPBA) oxidation of alkyl aryl disulfides and their regioisomeric sulfinothioic acid S-esters

  摘要：

  DOI：

  10.1021/jo00206a013
• 作为产物：
  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

文献信息

• Thiosulfonic acid S-esters as agents for protecting material
  申请人：——

  公开号：US20020151570A1

  公开（公告）日：2002-10-17

  The novel and known thiosulfonic acid esters of the formula (I) 1 in which R 1 and R 2 have the meaning given in the description are highly suitable for use as biocides for protecting industrial materials. Methods for using such compositions, compositions containing such esters.

  式 (I) 的新型和已知硫代磺酸酯 1 其中 R 1 和 R 2 具有说明中给出的含义，非常适合用作保护工业材料的杀菌剂。使用此类组合物的方法、含有此类酯的组合物。
• 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：——
• [DE] THIOSULFONSÄURE-S-ESTER ALS MATERIALSCHUTZMITTEL<br/>[EN] THIOSULPHONIC S-ESTERS AS MATERIAL PROTECTIVE AGENT<br/>[FR] S-ESTERS D'ACIDE THIOSULFONIQUE UTILISES COMME AGENTS PROTECTEURS DE MATERIAUX
  申请人：BAYER AG

  公开号：WO2002048100A2

  公开（公告）日：2002-06-20

  Die neuen und bekannten Thiosulfonsäureester der Formel (I), worin R1 und R2 die in der Beschreibung angegebene Bedeutung haben,eigenen sich hervorragend als Biozide zum Schutz von technischen Materialien.
• 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.