S-((2-methyl-2H-tetrazol-5-yl)methyl) ethanthioate | 91616-42-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: S-((2-methyl-2H-tetrazol-5-yl)methyl) ethanthioate
• 英文别名: 5-acetylmercaptomethyl-2-methyltetrazole；S-[(2-methyltetrazol-5-yl)methyl] ethanethioate
• CAS: 91616-42-1
• 化学式: C₅H₈N₄OS
• 分子量: 172.211
• InChiKey: QSVIPMCKMFNXGG-UHFFFAOYSA-N

物化性质

• 沸点：
  305.5±44.0 °C(Predicted)
• 密度：
  1.44±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  86
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  S-((2-methyl-2H-tetrazol-5-yl)methyl) ethanthioate 在 potassium carbonate 作用下， 以 甲醇 为溶剂， 以85 %的产率得到(2-methyl-2H-tetrazol-5-yl)methanethiol
  参考文献：
  名称：

  NICOTINAMIDE COMPOUND AND HERBICIDAL COMPOSITION COMPRISING COMPOUND

  摘要：

  The present invention relates to a novel nicotinamide compound, a method for preparing the same, and a herbicide comprising the compound. The compound of the present invention is useful as a herbicide for foliar treatment or soil treatment because it has high safety for wheat or corn and has excellent herbicidal activity against grassy weeds, sedge weeds or broadleaf weeds.

  公开号：

  US20220386607A1
• 作为产物：
  描述：

  5-(氯甲基)-2-甲基-2H-四唑e 、 potassium thioacetic acid 以91 %的产率得到S-((2-methyl-2H-tetrazol-5-yl)methyl) ethanthioate
  参考文献：
  名称：

  NICOTINAMIDE COMPOUND AND HERBICIDAL COMPOSITION COMPRISING COMPOUND

  摘要：

  The present invention relates to a novel nicotinamide compound, a method for preparing the same, and a herbicide comprising the compound. The compound of the present invention is useful as a herbicide for foliar treatment or soil treatment because it has high safety for wheat or corn and has excellent herbicidal activity against grassy weeds, sedge weeds or broadleaf weeds.

  公开号：

  US20220386607A1

文献信息

• Carbapenem antibiotics
  申请人：Bristol-Myers Company

  公开号：US04644061A1

  公开（公告）日：1987-02-17

  Disclosed are novel carbapenem derivatives characterized by a 2-substituent of the formula ##STR1## in which A represents a C.sub.1 -C.sub.6 straight or branched chain alkylene group; R.sup.5 represents an optionally substituted aliphatic, cycloaliphatic, cycloaliphatic-aliphatic, aryl, araliphatic, heteroaryl, heteroaraliphatic, heterocyclyl or heterocyclyl-aliphatic radial and ##STR2## represents a nitrogen-containing aromatic heterocycle attached to the alkylene group A at a ring carbon atom and quaternized by substituent R.sup.5. Such derivatives are useful as potent antibacterial agents.

  公开了新型的碳青霉烯衍生物，其特征在于2-取代基的公式为##STR1##，其中A代表C.sub.1-C.sub.6的直链或支链亚烷基；R.sup.5代表可选地取代的脂肪族、环脂肪族、环脂肪族-脂肪族、芳香族、芳脂肪族、杂芳族、杂芳脂肪族、杂环基或杂环基-脂肪族基团；而##STR2##代表一个含氮的芳香杂环，通过亚烷基A与环上的碳原子相连，并通过取代基R.sup.5进行季铵化。这样的衍生物作为强效的抗菌剂是有用的。