5-(4-ethylphenyl)-4H-1,2,4-triazole-3-thiol | 313990-49-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-(4-ethylphenyl)-4H-1,2,4-triazole-3-thiol
• 英文别名: 5-(4-ethylphenyl)-2H-1,2,4-triazole-3(4H)-thione
• CAS: 313990-49-7
• 化学式: C₁₀H₁₁N₃S
• mdl: MFCD06654943
• 分子量: 205.28
• InChiKey: MQZUQQWBBMVHFY-UHFFFAOYSA-N

物化性质

• 沸点：
  295.4±33.0 °C(Predicted)
• 密度：
  1.29±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  68.5
• 氢给体数：
  2
• 氢受体数：
  1

文献信息

• Compounds comprising linked heteroaryl moieties and their use as novel umami flavor modifiers, tastants and taste enhancers for comestible compositions
  申请人：Tachdjian Catherine

  公开号：US20060263411A1

  公开（公告）日：2006-11-23

  The inventions disclosed herein relate to the discovery of the use of compounds having the formula shown below and certain subgenera or species thereof, as flavor or taste modifiers, particularly, savory (“umami”) taste modifiers, savory flavoring agents and savory flavor enhancers in foods, beverages, and other comestible compositions.

  本发明涉及发现具有如下所示公式化合物的使用，以及其中某些子属或物种，作为风味或口味修饰剂，特别是，用于食品、饮料和其他可食用组合物的肉类（“鲜味”）口味修饰剂、肉类风味剂和肉类风味增强剂。
• Small Molecule Choline Kinase Inhibitors, Screening Assays, and Methods for Safe and Effective Treatment of Neoplastic Disorders
  申请人：CLEM BRIAN

  公开号：US20110212994A1

  公开（公告）日：2011-09-01

  Small molecule choline kinase inhibitors, pharmaceutical compositions thereof, and screening methods for identifying and evaluating choline kinase inhibitors are provided. Safe and effective methods for treating subjects suffering from a disorder or disease characterized by neoplastic cell proliferation employing the choline kinase inhibitors are also provided.

  提供了小分子胆碱激酶抑制剂、其药物组合物以及用于识别和评估胆碱激酶抑制剂的筛选方法。还提供了利用胆碱激酶抑制剂治疗患有以肿瘤细胞增殖为特征的疾病或疾病的安全有效方法。
• COMPOUNDS COMPRISING LINKED HETEROARYL MOIETIES AND THEIR USE AS NOVEL UMAMI FLAVOR MODIFIERS, TASTANTS AND TASTE ENHANCERS FOR COMESTIBLE COMPOSITIONS
  申请人：TACHDJIAN Catherine

  公开号：US20130071536A1

  公开（公告）日：2013-03-21

  The inventions disclosed herein relate to the discovery of the use of compounds having the formula shown below and certain subgenera or species thereof, as flavor or taste modifiers, particularly, savory (“umami”) taste modifiers, savory flavoring agents and savory flavor enhancers in foods, beverages, and other comestible compositions.

  本发明涉及以下化学式的化合物及其某些亚属或种类的发现，作为食品、饮料和其他可食用组合物中的风味或口味调节剂，特别是咸味（"鲜味"）调节剂、咸味调味剂和咸味增强剂。
• Novel Fused Heterocycles: Synthesis and Activity of 5,6-Dihydro-7-thia-1,3,3a,5-tetraazainden-4-one and 1-Thia-3,4a,9-triazafluoren-4-one Derivatives
  作者：Suyou Liu、Xuhong Qian、Jing Chen、Gonghua Song

  DOI：10.1007/s007060070051

  日期：2000.9.22

  Thiatetraazaindenone derivatives were synthesized by reaction of 3-substituted 1,2,4-triazole-5-thiols with N-substituted N-chloromethyl carbamoyl chlorides. A series of thiatriazafluorenone derivatives were also prepared by reaction of benzimidazole derivatives with the same substrate. Some of the new compounds show fungicidal, herbicidal, and insecticidal activity.
• COMPOUNDS COMPRISING LINKED HETERO ARYL MOIETIES AND THEIR USE AS NOVEL UMAMI FLAVOR MODIFIERS, TASTANTS AND TASTE ENHANCERS FOR COMESTIBLE COMPOSITIONS
  申请人：Senomyx, Inc.

  公开号：EP1850681A2

  公开（公告）日：2007-11-07