5-thiocyanato-valeronitrile | 98135-24-1

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫氰酸盐
• 英文名称: 5-thiocyanato-valeronitrile
• 英文别名: 2-Thia-heptandinitril；4-Cyanobutyl thiocyanate；4-cyanobutyl thiocyanate
• CAS: 98135-24-1
• 化学式: C₆H₈N₂S
• 分子量: 140.209
• InChiKey: QDOPBQZANITJEI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  9
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  72.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  5-溴戊腈 、 potassium thioacyanate 在 丙酮 作用下， 生成 5-thiocyanato-valeronitrile
  参考文献：
  名称：

  Bacteriostats. II.¹ The Chemical and Bacteriostatic Properties of Isothiocyanates and their Derivatives

  摘要：

  DOI：

  10.1021/ja01525a057

文献信息

• Szarvasi, Bulletin de la Societe Chimique de France, 1950, p. 463,646
  作者：Szarvasi

  DOI：——

  日期：——
• COMPOSITION, POLYMERIZABLE COMPOSITION, RESIN, OPTICAL COMPONENT, AND METHOD FOR PRODUCING THE COMPOSITION
  申请人：Ando Tomoyuki

  公开号：US20110124836A1

  公开（公告）日：2011-05-26

  The composition of the present invention contains a product having a thiol group obtained by reacting an Sb or Bi oxide or an Sb or Bi halide with at least one kind of polythiol compounds selected from compounds having at least two thiol groups in a molecule.
• PHASE 2 INDUCERS AND RELATED SIGNALING PATHWAYS PROTECT CARTILAGE AGAINST INFLAMMATION, APOPTOSIS AND STRESS
  申请人：KONSTANTOPOULOS KONSTANTINOS

  公开号：US20190046530A1

  公开（公告）日：2019-02-14

  Disclosed herein are novel compounds, their use in the treatment and prevention of joint and/or cartilage inflammation that provide an alternative to the NSAIDS and selective COX-2 inhibitors by activating endogenous detoxifying cellular defense mechanisms that act to neutralize toxic cellular intermediate. These compounds are PPAR-alpha agonists and/or phase 2 gene activators.
• Bacteriostats. II.¹ The Chemical and Bacteriostatic Properties of Isothiocyanates and their Derivatives
  作者：A. F. McKay、D. L. Garmaise、R. Gaudry、H. A. Baker、G. Y. Paris、R. W. Kay、G. E. Just、R. Schwartz

  DOI：10.1021/ja01525a057

  日期：1959.8