3-chloro-5,5-dimethyl-2-cyclohexene-1-thione | 73705-07-4

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫代羰基化合物
• 英文名称: 3-chloro-5,5-dimethyl-2-cyclohexene-1-thione
• 英文别名: 3-chloro-5,5-dimethyl-2-cyclohexenethione；3-chloro-5,5-dimethylcyclohex-2-ene-1-thione
• CAS: 73705-07-4
• 化学式: C₈H₁₁ClS
• 分子量: 174.694
• InChiKey: RMXRFWBAXFPYIE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  32.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3-chloro-5,5-dimethyl-2-cyclohexene-1-thione 在 sodium thiosulfate 作用下， 以 甲醇 为溶剂， 生成 bis(5,5-dimethyl-3-thioxocyclohex-1-en-1-yl) sulfide
  参考文献：
  名称：

  摘要：

  Synthetic routes to bis(5,5-dimethyl-3-thioxo-1-cyclohexenyl) sulfide have been studied. The title compound can be obtained by reaction of 3-chloro-5,5-dimethyl-2-cyclohexenethione with sodium thiosulfate and by condensation of 3-mercapto-5,5-dimethyl-2-cyclohexenethione. The reaction of bis(5,5-dimethyl-3-oxo-1-cyclohexenyl) sulfide with hydrogen sulfide and hydrogen chloride yields 3-oxo-3'-thioxobis(5,5-dimethyl-1-cyclohexenyl) sulfide.

  DOI：

  10.1023/a:1013837026547
• 作为产物：
  描述：

  1-(3-chloro-5,5-dimethyl-2-cyclohexenylidene)morpholinium perchlorate 在 硫化氢 作用下， 生成 3-chloro-5,5-dimethyl-2-cyclohexene-1-thione
  参考文献：
  名称：

  Usov, V. A.; Timokhina, L. V.; Zhagun, V. A., Journal of Organic Chemistry USSR (English Translation), 1981, vol. 17, p. 1623 - 1628

  摘要：

  DOI：

文献信息

• Usov, V. A.; Timokhina, L. V.; Usova, T. L., Journal of Organic Chemistry USSR (English Translation), 1981, vol. 17, p. 1178 - 1179
  作者：Usov, V. A.、Timokhina, L. V.、Usova, T. L.、Voronkov, M. G.

  DOI：——

  日期：——
• USOV V. A.; TIMOXINA L.; BOPOHKOB M. G., ZH. ORGAN. XIMII, 1980, 16, HO 1, 226-227
  作者：USOV V. A.、 TIMOXINA L.、 BOPOHKOB M. G.

  DOI：——

  日期：——
• USOV V. A.; TIMOXINA L. V.; USOVA T. L.; BOPOHKOB M. G., ZH. ORGAN. XIMII, 1981, 17, HO 6, 1327-1328
  作者：USOV V. A.、 TIMOXINA L. V.、 USOVA T. L.、 BOPOHKOB M. G.

  DOI：——

  日期：——
• Usov, V. A.; Timokhina, L. V.; Zhagun, V. A., Journal of Organic Chemistry USSR (English Translation), 1981, vol. 17, p. 1623 - 1628
  作者：Usov, V. A.、Timokhina, L. V.、Zhagun, V. A.、Sidorkin, V. F.、Voronkov, M. G.

  DOI：——

  日期：——
• ——
  作者：L. V. Timokhina、G. M. Panova、L. V. Kanitskaya、O. V. Sokol'nikova、D. -S. D. Toryashinova、M. G. Voronkov

  DOI：10.1023/a:1013837026547

  日期：——

  Synthetic routes to bis(5,5-dimethyl-3-thioxo-1-cyclohexenyl) sulfide have been studied. The title compound can be obtained by reaction of 3-chloro-5,5-dimethyl-2-cyclohexenethione with sodium thiosulfate and by condensation of 3-mercapto-5,5-dimethyl-2-cyclohexenethione. The reaction of bis(5,5-dimethyl-3-oxo-1-cyclohexenyl) sulfide with hydrogen sulfide and hydrogen chloride yields 3-oxo-3'-thioxobis(5,5-dimethyl-1-cyclohexenyl) sulfide.