3-mercapto-5,5-dimethyl-2-cyclohexenethione | 73705-06-3

• 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-mercapto-5,5-dimethyl-2-cyclohexenethione
• 英文别名: 5,5-dimethyl-3-sulfanylcyclohex-2-ene-1-thione
• CAS: 73705-06-3
• 化学式: C₈H₁₂S₂
• 分子量: 172.315
• InChiKey: HAJWSODOAVSDLZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 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：
  33.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-mercapto-5,5-dimethyl-2-cyclohexenethione 以 氯仿 为溶剂， 反应 2.0h， 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：

  3-chloro-5,5-dimethyl-2-cyclohexene-1-thione 、 sodium hydrogensulfide 生成 3-mercapto-5,5-dimethyl-2-cyclohexenethione
  参考文献：
  名称：

  USOV V. A.; TIMOXINA L.; BOPOHKOB M. G., ZH. ORGAN. XIMII, 1980, 16, HO 1, 226-227

  摘要：

  DOI：
• 作为试剂：
  描述：

  N-(3-phenyl-3-chloroprop-2-en-1-ylidene)-N,N-dimethylimmonium perchlorate 在 3-mercapto-5,5-dimethyl-2-cyclohexenethione 作用下， 以 甲醇 为溶剂， 以38%的产率得到bis(1-N,N-dimethylimmonio-3-phenylprop-2-en-3-yl)sulfide diperchlorate
  参考文献：
  名称：

  Hydrothiolysis of carbofunctional α,β-unsaturated sulfides as an approach to the synthesis of 1,7-dithiocarbonyl compounds

  摘要：

  Bis(1-N,N-dimethylimmonio-3-phenylprop-2-en-3-yl) sulfide diperchlorate and (1-N,N-dimethylimmonio-3-phenylprop-2-en-3-yl) (5,5-dimethyl-1-morpholiniocyclohex-2-en-3-yl) sulfide diperchlorate react with hydrogen sulfide giving rise to the corresponding 1,7-thioxoimmonio sulfides. Treating with the hydrogen sulfide (1-N,N-dimethylimmonio-3-phenylprop-2-en-3-yl) (1-oxo-2-phenyl-inden-3-yl) sulfide perchlorate led to preparation of (1-oxo-2-phenylinden-3-yl) (1-thioxo-3-phenylprop-2-en-3-yl) sulfide. The hydrothiolysis of (5,5-dimethyl-1-morpholiniocyclohex-2-en-3-yl) (1-N,N-dimethylimmonio-2-phenylinden-3-yl) sulfide diperchlorate and (5,5-dimethyl-1-morpholiniocyclohex-2-en-3-yl) (1-oxo-2-phenylinden-3-yl) sulfidea perchlorate resulted in products of the sulfide bond cleavage in the initial immonium salts.

  DOI：

  10.1134/s1070428006080185

文献信息

• USOV V. A.; TIMOXINA L. V.; LAVLINSKAYA L. I.; BOPOHKOB M. G., ZH. ORGAN. XIMII, 1979, 15, HO 12, 2598-2599
  作者：USOV V. A.、 TIMOXINA L. V.、 LAVLINSKAYA L. I.、 BOPOHKOB M. G.

  DOI：——

  日期：——
• TIMOXINA L. V.; USOVA T. L.; USOV V. A.; BOPOHKOB M. G., XIMIYA GETEROTSIKL. SOEDIN., 1981, HO 7, 993-994
  作者：TIMOXINA L. V.、 USOVA T. L.、 USOV V. A.、 BOPOHKOB 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.
• 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：——