N-methylsulfonyl-S-methyl-S-[(2-chloro-1,3-thiazol-5-yl)methyl] sulfoximine | 1092391-12-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N-methylsulfonyl-S-methyl-S-[(2-chloro-1,3-thiazol-5-yl)methyl] sulfoximine
• 英文别名: N-[(2-chloro-1,3-thiazol-5-yl)methyl-methyl-oxo-lambda6-sulfanylidene]methanesulfonamide；N-[(2-chloro-1,3-thiazol-5-yl)methyl-methyl-oxo-λ6-sulfanylidene]methanesulfonamide
• CAS: 1092391-12-2
• 化学式: C₆H₉ClN₂O₃S₃
• 分子量: 288.8
• InChiKey: ILDMSTGUYMQRGE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  122
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-chloro-5-(S-methylsulfonimidoylmethyl)thiazole 、 甲基磺酰氯 在 4-二甲氨基吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以92%的产率得到N-methylsulfonyl-S-methyl-S-[(2-chloro-1,3-thiazol-5-yl)methyl] sulfoximine
  参考文献：
  名称：

  Synthesis and Insecticidal Activity of N-Substituted (1,3-Thiazole)alkyl Sulfoximine Derivatives

  摘要：

  The N-substituted alkyl sulfoximine derivatives are a new chemical family of neonicotinoid insecticides. We have designed and synthesized 10 (1,3-thiazole)alkyl sulfoximine derivatives. All compounds were identified by H-1 and C-13 nuclear magnetic resonance (NMR), IR, and elemental analyses. Preliminary bioassays indicated that some title compounds exhibited good insecticidal activities at 10 mg/L against Myzus persicae. The relationship between structure and biological activity was also discussed.

  DOI：

  10.1021/jf802802g