(S-dimethylchlorostannyl)-1-phenyl-5-thiotetrazole | 143277-93-4

• 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-dimethylchlorostannyl)-1-phenyl-5-thiotetrazole
• 英文别名: chloro-dimethyl-(1-phenyltetrazol-5-yl)sulfanylstannane
• CAS: 143277-93-4
• 化学式: C₉H₁₁ClN₄SSn
• 分子量: 361.442
• InChiKey: IFJZRKQUCDZXKH-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  68.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  sodium 1-phenyltetrazole-5-thionate 、 二甲基二氯化锡 以 乙醇 为溶剂， 以52%的产率得到(S-dimethylchlorostannyl)-1-phenyl-5-thiotetrazole
  参考文献：
  名称：

  Organotin mediated cycloaddition reactions: a re-investigation of the reaction between organotin azides and isothiocyanates

  摘要：

  Organotin derivatives of 1-organo-5-thiotetrazole (RN4CS) have been synthesised by two methods: (i) a cycloaddition reaction between Bu3SnN3 and RNCS, and (ii) reaction between the sodium salt of the preformed tetrazole and an organotin halide. The structure of Bu2Sn(SCN4Ph)2 has been determined, and the ligand shown to be in the thio form, attached to tin through sulphur, rather than through nitrogen as previously reported. An analysis of the azide-isothiocyanide cycloaddition reaction based upon molecular orbital calculations is presented.

  DOI：

  10.1016/0022-328x(92)80092-c