ethyl-(1,4,5,6,7,7-hexachloro-norborn-5-en-2-yl)-sulfide | 90349-08-9

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 乙烯基卤化物
• 英文名称: ethyl-(1,4,5,6,7,7-hexachloro-norborn-5-en-2-yl)-sulfide
• 英文别名: Aethyl-(1,4,5,6,7,7-hexachlor-norborn-5-en-2-yl)-sulfid；2-Aethylmercapto-1,4,5,6,7,7-hexachlor-bicyclo<2.2.1>hepten-(5)
• CAS: 90349-08-9
• 化学式: C₉H₈Cl₆S
• 分子量: 360.947
• InChiKey: LUDXXKURZTULMI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.34
• 重原子数：
  16.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  ethyl-(1,4,5,6,7,7-hexachloro-norborn-5-en-2-yl)-sulfide 在 过氧乙酸 作用下， 生成 5-Aethylsulfinyl-1,2,3,4,7,7-hexachlor-2-norbornen
  参考文献：
  名称：

  Vinyl compounds in the diene synthesis

  摘要：

  DOI：

  10.1007/bf01182958
• 作为产物：
  描述：

  乙基乙烯基硫醚 、 六氯环戊二烯 生成 ethyl-(1,4,5,6,7,7-hexachloro-norborn-5-en-2-yl)-sulfide
  参考文献：
  名称：

  Coffee and Alcohol Intake and Risk of Ovarian Cancer: An Italian Case-Control Study

  摘要：

  The relation between coffee and alcohol intake and ovarian cancer risk was analyzed in a case-control study conducted in Italy between 1992 and 1999. Cases were 1,031 women, aged 18-79 years, with incident, histologically confirmed invasive epithelial ovarian cancer, and controls were 2,411 women, aged 17-79 years, admitted to the hospital for acute nonneoplastic non-hormone-related diseases. Coffee intake (mostly espresso and mocha) was not associated with ovarian cancer risk, with an odds ratio (OR) of 0.93 [95 % confidence interval (CI) = 0.69-1.27] in drinkers of greater than or equal to4 cups/day compared with drinkers of <1 cup/day. No meaningful relation was observed with cappuccino (OR = 1.06, 95% CI = 0.85-1,32 for drinkers compared with nondrinkers), decaffeinated coffee (OR = 0.64, 95% CI 0.42-0.96), and tea intake (OR = 0.90, 95% CI = 0.75-1,08). Total alcohol intake was not associated with ovarian cancer risk (OR = 1.09, 95 % CI = 0.76-1.57 in drinkers of greater than or equal to 36 g/day compared with never drinkers), No relationship was found with wine (OR = 1.03, 95% CI = 0.70-1.50 for > 39 g/day compared with never drinkers), beer, amari, grappa, and spirits. No significant heterogeneity was found for coffee or total alcohol intake across strata of age, education, parity, oral contraceptive use, family history of ovarian/breast cancer, body mass index, and calorie intake, This study, based on a large data set, provides no support for a causal association between invasive epithelial ovarian cancer risk and coffee and alcohol intake.

  DOI：

  10.1207/s15327914nc391_4