3,3,5-Trimethylcyclohexyl isothiocyanate

• 分子结构分类: 有机化合物 - 有机硫化合物 - 异硫氰酸盐
• 英文名称: 3,3,5-Trimethylcyclohexyl isothiocyanate
• 英文别名: 3-isothiocyanato-1,1,5-trimethylcyclohexane
• 化学式: C₁₀H₁₇NS
• mdl: MFCD00019376
• 分子量: 183.32
• InChiKey: JBFADJAHBQLJDX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  44.4
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• Organosulfur inhibitors of tyrosine phosphatases
  申请人：Wang Jing

  公开号：US20050065118A1

  公开（公告）日：2005-03-24

  Organosulfur modulators of tyrosine phosphatases and their use in the treatment of disease are disclosed.

  本发明揭示了酚磷酸酶的有机硫调节剂及其在治疗疾病中的应用。
• Ims detection of chemical markers in petroleum products
  申请人：Authentix, Inc.

  公开号：EP2264130A2

  公开（公告）日：2010-12-22

  A method and composition for identifying chemically tagged petroleum products can be achieved by adding one or more chemicals to a selected petroleum product wherein the chemical is immune to extraction from the petroleum product by conventional inexpensive absorbents, cannot be removed by extraction with acids, bases, or immiscible solvents, cannot be easily oxidized, reduced or reacted with common agents, is difficult to disguise by masking with other agents, has a low polarity, and has a boiling pint in the range of the petroleum product the chemical is being added to. The presence of the chemical is determined by using ion mobility to spectroscopy.

  通过向选定的石油产品中添加一种或多种化学物质，可以实现识别化学标记石油产品的方法和组合物，其中的化学物质不会被传统的廉价吸收剂从石油产品中萃取出来，不能被酸、碱或不溶性溶剂萃取去除，不容易被氧化、还原或与普通制剂发生反应，难以用其他制剂掩盖，极性低，沸点在所添加化学物质的石油产品范围内。化学品的存在是通过离子迁移率和光谱来确定的。
• Compositions and methods for treating autism spectrum disorders
  申请人：THE JOHNS HOPKINS UNIVERSITY

  公开号：US10869853B2

  公开（公告）日：2020-12-22

  The instant disclosure features, among other things, compositions and methods for treating an autism spectrum disorder in a human. The compositions comprise an effective amount of: (1) an isothiocyanate (e.g., sulforaphane or a derivative thereof) or (2) a glucosinolate, and optionally, an enzyme, to thereby treat an autism spectrum disorder and/or reduce the severity of at least one symptom of the disorder. Methods for preparing such compositions are also featured.

  本公开的内容包括用于治疗人类自闭症谱系障碍的组合物和方法。这些组合物包含有效量的(1) 异硫氰酸酯（例如，莱菔硫烷或其衍生物）或 (2) 葡萄糖苷酸盐，以及可选的酶，从而治疗自闭症谱系障碍和/或降低该障碍至少一种症状的严重程度。此外，还介绍了制备此类组合物的方法。
• Products comprising an isothiocyanate preservative system and methods of their use
  申请人：——

  公开号：US20020061352A1

  公开（公告）日：2002-05-23

  The present disclosure relates to products, including preservative systems and compositions (e.g., foods, beverages, health care products, personal care products, herbicidal products, and containment devices). The products comprise a constituent comprising an isothiocyanate compound. The products may further comprise a preservative selected from sorbate preservatives, benzoate preservatives, and mixtures thereof. The present disclosure further relates to methods of preserving products comprising incorporating the foregoing preservative systems into such products.

  本公开涉及产品，包括防腐剂系统和组合物（如食品、饮料、保健产品、个人护理产品、除草产品和密封装置）。这些产品包括由异硫氰酸酯化合物组成的成分。产品可进一步包含选自山梨酸盐防腐剂、苯甲酸盐防腐剂及其混合物的防腐剂。本公开进一步涉及将上述防腐剂体系加入到产品中的产品防腐方法。
• IMS detection of chemical markers in petroleum products
  申请人：——

  公开号：US20040147413A1

  公开（公告）日：2004-07-29

  A method and composition for identifying chemically tagged petroleum products can be achieved by adding one or more chemicals to a selected petroleum product wherein the chemical is immune to extraction from the petroleum product by conventional inexpensive absorbents, cannot be removed by extraction with acids, bases, or immiscible solvents, cannot be easily oxidized, reduced or reacted with common agents, is difficult to disguise by masking with other agents, has a low polarity, and has a boiling point in the range of the petroleum product the chemical is being added to. The presence of the chemical is determined by using ion mobility spectroscopy.

  通过向选定的石油产品中添加一种或多种化学物质，可以实现识别化学标记石油产品的方法和组合物，其中的化学物质不会被传统的廉价吸收剂从石油产品中萃取出来，不能被酸、碱或不溶性溶剂萃取去除，不易被氧化、还原或与普通制剂发生反应，难以用其他制剂掩盖，极性低，沸点在所添加化学物质的石油产品范围内。使用离子迁移率光谱法确定化学品的存在。