2-Methyl-4-pentylthiane

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻烷
• 英文名称: 2-Methyl-4-pentylthiane
• 化学式: C₁₁H₂₂S
• 分子量: 186.36
• InChiKey: SSYNZOSWHXSEOL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• 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

反应信息

• 作为反应物：
  描述：

  2-Methyl-4-pentylthiane 生成 trans-2-Methyl-4-N-Pentylthiane
  参考文献：
  名称：

  VOLYNSKIJ N. P.; PEREPELITCHENKO L. I., NEFTEXIMIYA, 1981, 21, HO 3, 459-466

  摘要：

  DOI：
• 作为产物：
  描述：

  2-Bromo-4-(2-bromoethyl)nonane 、 硫化碱 以83%的产率得到
  参考文献：
  名称：

  VOLYNSKIJ N. P.; PEREPELITCHENKO L. I., NEFTEXIMIYA, 1981, 21, HO 3, 459-466

  摘要：

  DOI：

文献信息

• VOLATILE ORGANIC COMPOUNDS FOR DETECTING CELL DYSPLASIA AND GENETIC ALTERATIONS ASSOCIATED WITH LUNG CANCER
  申请人：Haick Hossam

  公开号：US20130143247A1

  公开（公告）日：2013-06-06

  The present invention provides methods of identifying a genetic abnormality such as mutation in EGFR or KRAS or ALK which is associated with the management of lung cancer or diagnosing, prognosing or monitoring the treatment of pre-cancerous conditions of the lung, such as bronchial dysplasia or atypical alveolar hyperplasia (AAH), through the detection of at least one volatile organic compound indicative of these states.
• US9315848B2
  申请人：——

  公开号：US9315848B2

  公开（公告）日：2016-04-19
• [EN] VOLATILE ORGANIC COMPOUNDS FOR DETECTING CELL DYSPLASIA AND GENETIC ALTERATIONS ASSOCIATED WITH LUNG CANCER<br/>[FR] COMPOSÉS ORGANIQUES VOLATILS POUR LA DÉTECTION D'UNE DYSPLASIE CELLULAIRE ET DE MODIFICATIONS GÉNÉTIQUES ASSOCIÉES AU CANCER DU POUMON
  申请人：TECHNION RES & DEV FOUNDATION

  公开号：WO2012023138A2

  公开（公告）日：2012-02-23

  The present invention provides methods of identifying a genetic abnormality such as mutation in EGFR or KRAS or ALK which is associated with the management of lung cancer or diagnosing, prognosing or monitoring the treatment of pre-cancerous conditions of the lung, such as bronchial dysplasia or atypical alveolar hyperplasia (AAH), through the detection of at least one volatile organic compound indicative of these states.