4,8,4',8'-Tetrakis-(3-methyl-butylsulfanyl)-[6,6']bi[1,2,3,5,7-pentathia-s-indacenylidene] | 167564-27-4

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 4,8,4',8'-Tetrakis-(3-methyl-butylsulfanyl)-[6,6']bi[1,2,3,5,7-pentathia-s-indacenylidene]
• 英文别名: 6-[4,8-bis(3-methylbutylsulfanyl)-[1,3]dithiolo[4,5-f][1,2,3]benzotrithiol-6-ylidene]-4,8-bis(3-methylbutylsulfanyl)-[1,3]dithiolo[4,5-f][1,2,3]benzotrithiole
• CAS: 167564-27-4
• 化学式: C₃₄H₄₄S₁₄
• 分子量: 901.647
• InChiKey: LZZFGFNWBZRPEI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.4
• 重原子数：
  48
• 可旋转键数：
  16
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  354
• 氢给体数：
  0
• 氢受体数：
  14

反应信息

• 作为反应物：
  描述：

  4,8,4',8'-Tetrakis-(3-methyl-butylsulfanyl)-[6,6']bi[1,2,3,5,7-pentathia-s-indacenylidene] 在 氯化锑(V) 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 0.83h， 以92%的产率得到4,4',8,8'-tetrakis(iso-pentylthio)-2,2'-bi-1,3,5,6,7-pentathia-s-indacenylidenium tri(hexachloroantimonate)
  参考文献：
  名称：

  Novel benzo[d]1,2,3-trithioles and their hexachloroantimonates derived from benzenehexathiol

  摘要：

  Various substituted benzo-mono-, bis-, and tris-1,2,3-trithioles were synthesized by reaction of the corresponding thiolates with sulfur dichloride. Benzo-bis(trithiolo)pentathiepin was isolated as a by-product. These trithioles form with cyanide dibenzo[c,g]1,2,5,6-tetrathiocines and afforded with antimony pentachloride stable radical cations. Some EPR and conductivity data are reported.

  DOI：

  10.1016/0040-4020(95)00004-r
• 作为产物：
  描述：

  6,6'-Dioxo-4,4',8,8'-tetrakis(isopentylthio)-2,2'-bi-1,3,5,7-tetrathia-s-indacenyliden 在 二氯化硫 、 甲基锂 作用下， 生成 4,8,4',8'-Tetrakis-(3-methyl-butylsulfanyl)-[6,6']bi[1,2,3,5,7-pentathia-s-indacenylidene]
  参考文献：
  名称：

  Novel benzo[d]1,2,3-trithioles and their hexachloroantimonates derived from benzenehexathiol

  摘要：

  Various substituted benzo-mono-, bis-, and tris-1,2,3-trithioles were synthesized by reaction of the corresponding thiolates with sulfur dichloride. Benzo-bis(trithiolo)pentathiepin was isolated as a by-product. These trithioles form with cyanide dibenzo[c,g]1,2,5,6-tetrathiocines and afforded with antimony pentachloride stable radical cations. Some EPR and conductivity data are reported.

  DOI：

  10.1016/0040-4020(95)00004-r