4,4,6-三甲基-4,5-二氢嘧啶-2-硫醇 | 933-49-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 4,4,6-三甲基-4,5-二氢嘧啶-2-硫醇
• 英文名称: 4,4,6-Trimethyl-2-thiono-2,3,4,5-tetrahydro-pyrimidin
• 英文别名: 4,6,6-Trimethyl-5,6-dihydro-2(1H)-pyrimidinthion；4,6,6-trimethyl-5,6-dihydro-1H-pyrimidine-2-thione；4,4,6-Trimethyl-4,5-dihydropyrimidine-2-thiol；4,6,6-trimethyl-1,5-dihydropyrimidine-2-thione
• CAS: 933-49-3
• 化学式: C₇H₁₂N₂S
• mdl: MFCD00085612
• 分子量: 156.252
• InChiKey: YIAPPMPDJXJYFU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  56.5
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2933599090

反应信息

• 作为反应物：
  描述：

  4,4,6-三甲基-4,5-二氢嘧啶-2-硫醇 在 ammonium hydroxide 作用下， 以 乙醇 为溶剂， 生成 3-<1,1-Dimethyl-3-oxo-butyl-(1)>-4-ethyl-5-methyl-2-imino-Δ⁴-thiazolin
  参考文献：
  名称：

  Jaenecke,G. et al., Zeitschrift fur Chemie, 1968, vol. 8, # 12, p. 462 - 463

  摘要：

  DOI：

文献信息

• A novel reaction of thiourea, the structure of Jaffé's base, and related studies
  作者：B. H. Chase、James Walker

  DOI：10.1039/jr9550004443

  日期：——
• SOLUTION ABSORBANTE CONTENANT UN INHIBITEUR DE DÉGRADATION. DÉRIVÉ DE LA PYRIMIDINE OU DE LA TRIAZINE ET PROCÉDÉ D'ABSORPTION DE COMPOSÉS ACIDES CONTENUS DANS UN EFFLUENT GAZEUX
  申请人：IFP Energies nouvelles

  公开号：EP2506952A1

  公开（公告）日：2012-10-10
• Chemical Fragment Screening and Assembly Utilizing Common Chemistry for NMR Probe Introduction and Fragment Linkage
  申请人：Sem Daniel S.

  公开号：US20100305326A1

  公开（公告）日：2010-12-02

  Disclosed herein are methods related to drug development. The methods typically include steps whereby two chemical fragments are identified as binding to a target protein and subsequently the two chemical fragments are joined to create a new chemical entity that binds to the target protein.
• ABSORBENT SOLUTION CONTAINING A BREAKDOWN INHIBITOR DERIVED FROM PYRIMIDINE OR FROM TRIAZINE AND ABSORPTION PROCESS FOR ACID COMPOUNDS CONTAINED IN A GASEOUS EFFLUENT
  申请人：Delfort Bruno

  公开号：US20120292565A1

  公开（公告）日：2012-11-22

  The degradation of an absorbent solution comprising organic compounds provided with an amine function in aqueous solution is reduced considerably in the presence of a small amount of degradation-inhibiting additives belonging to the class of derivatives of pyrimidine or of triazine, at least one substituent of which contains a sulfur atom. The absorbent solution is employed for deacidifying a gaseous effluent.
• US9211495B2
  申请人：——

  公开号：US9211495B2

  公开（公告）日：2015-12-15