benzo<1,2-d><3,4-d'><5,6-d''>-tris-1,2,3-trithiole | 167564-25-2

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: benzo<1,2-d><3,4-d'><5,6-d''>-tris-1,2,3-trithiole
• 英文别名: 3,4,5,8,9,10,13,14,15-Nonathiatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2(6),7(11)-triene
• CAS: 167564-25-2
• 化学式: C₆S₉
• 分子量: 360.66
• InChiKey: IGIPBYKJNFTRCS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  228
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  benzo<1,2-d><3,4-d'><5,6-d''>-tris-1,2,3-trithiole 在 氯化锑(V) 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 0.83h， 以94%的产率得到benzo<1,2-d>1,2,3-trithiolo-<3,4-d'><5,6-d''>bis-1,2,3-trithiolium di(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：

  苯六硫酚 在 二氯化硫 、 甲基锂 作用下， 以20%的产率得到benzo<3,4-d><5,6-d'>-bis-1,2,3-trithiolo-<1,2-d''>pentathiepin
  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

文献信息

• Novel benzo[d]1,2,3-trithioles and their hexachloroantimonates derived from benzenehexathiol
  作者：Egon Fanghänel、Ralph Herrmann、Herbert Naarmann

  DOI：10.1016/0040-4020(95)00004-r

  日期：1995.2

  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.