1-(乙硫基)-2-甲基丙烷 | 1613-45-2

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 中文名称: 1-(乙硫基)-2-甲基丙烷
• 中文别名: 乙基异丁基硫化
• 英文名称: ethyl isobutyl sulfide
• 英文别名: Ethyl-isobutyl-sulfid；1-ethylsulfanyl-2-methylpropane
• CAS: 1613-45-2
• 化学式: C₆H₁₄S
• mdl: MFCD00039909
• 分子量: 118.243
• InChiKey: OIRKGXWQBSPXLQ-UHFFFAOYSA-N

物化性质

• 熔点：
  -96.69°C (estimate)
• 沸点：
  134.25°C
• 密度：
  0.8261
• LogP：
  2.830 (est)
• 保留指数：
  850;850;850;842;848;854

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  7
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  25.3
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2930909090

反应信息

• 作为反应物：
  描述：

  1-(乙硫基)-2-甲基丙烷 在 双氧水 、 溶剂黄146 作用下， 生成 Ethyl-isobutylsulfon
  参考文献：
  名称：

  The Preparation and Properties of Sulfur Compounds Related to Petroleum. I. The Dialkyl Sulfides and Disulfides¹

  摘要：

  DOI：

  10.1021/ja01152a021
• 作为产物：
  描述：

  溴乙烷 、 alkaline earth salt of/the/ methylsulfuric acid 在 乙醇 作用下， 生成 1-(乙硫基)-2-甲基丙烷
  参考文献：
  名称：

  Rapid Analysis of Volatile Release from Powders using Dynamic Vapor Sorption Atmospheric Pressure Chemical Ionization Mass Spectrometry

  摘要：

  ABSTRACT: It is hypothesized that a dynamic vapor sorption instrument coupled with an atmospheric pressure chemical ionization mass spectrometer (APCI‐MS) may be useful for rapid analysis of volatile release from dry food materials. Preliminary data from a related system (Vapor Generator Instrument‐APCI‐MS) was used to monitor release of volatiles from spray‐dried food polymers as a function of relative humidity at 40 °C. The system demonstrated differences in volatile release as a function of volatile compound, relative humidity, and food polymer. Comparison of these data with data collected using traditional shelf life study methodologies, and concerns for the ability of the method to accurately reflect time‐dependent changes are discussed.

  DOI：

  10.1111/j.1365-2621.2003.tb05740.x

文献信息

• [EN] OXAZOLIDINONES AS MODULATORS OF MGLUR5<br/>[FR] OXAZOLIDINONES UTILISÉES EN TANT QUE MODULATEURS DE MGLUR5
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2015054103A1

  公开（公告）日：2015-04-16

  The disclosure generally relates to compounds of formula I, including their salts, as well as compositions and methods of using the compounds. The compounds are ligands, agonists and partial agonists for the mGluR5 receptor and may be useful for the treatment of various disorders of the central nervous system.

  该披露通常涉及到公式I的化合物，包括它们的盐，以及使用这些化合物的组合物和方法。这些化合物是mGluR5受体的配体、激动剂和部分激动剂，可能对中枢神经系统的各种疾病的治疗有用。
• COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS
  申请人：Sharma Shalini

  公开号：US20070105958A1

  公开（公告）日：2007-05-10

  Compounds useful for the treatment of various metabolic disorders, such as insulin resistance syndrome, diabetes, hyperlipidemia, fatty liver disease, cachexia, obesity, atherosclerosis and arteriosclerosis, are disclosed.

  本发明揭示了一些化合物，用于治疗各种代谢性疾病，如胰岛素抵抗综合征、糖尿病、高脂血症、脂肪肝病、消瘦、肥胖症、动脉粥样硬化和动脉硬化等。
• Novel Compounds and Compositions as Cathepsin Inhibitors
  申请人：Patterson W. John

  公开号：US20070232654A1

  公开（公告）日：2007-10-04

  The present invention relates to novel selective cathepsin S inhibitors, the pharmaceutically acceptable salts and N-oxides thereof, their uses as therapeutic agents and the methods of their making.

  本发明涉及新型选择性卡特普西林S抑制剂，其药学上可接受的盐和N-氧化物，以及它们作为治疗剂的用途和制备方法。
• Novel compounds and compositions as cathepsin inhibitors
  申请人：Graupe Michael

  公开号：US20070049594A1

  公开（公告）日：2007-03-01

  The present invention relates to novel selective cathepsin S inhibitors, the pharmaceutically acceptable salts and N-oxides thereof, their uses as therapeutic agents and the methods of their making.

  本发明涉及一种新型选择性卡普林S抑制剂，其药物可接受的盐和N-氧化物，以及它们作为治疗剂的用途和制备方法。
• TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS
  申请人：Kirsch Donald R.

  公开号：US20110237907A1

  公开（公告）日：2011-09-29

  The present invention relates to the identification of compounds and pharmaceutical compositions thereof for treating subjects with amyotrophic lateral sclerosis (ALS) and other neurodegenerative diseases. The invention also provides methods of preparing the provided compounds.

  本发明涉及识别用于治疗肌萎缩侧索硬化症（ALS）和其他神经退行性疾病的化合物和药物组合物，还提供了制备所述化合物的方法。

表征谱图