S-methyl N-carbamoylcarbamothioate | 34277-67-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机碳酸及其衍生物
• 英文名称: S-methyl N-carbamoylcarbamothioate
• 英文别名: S-methyl N-carbamoylthiocarbamate；N-(thia-2-propionyl)urea；methyl thioallophanate；1-thioallophanic acid S-methyl ester；Methylmercaptocarbonyl-harnstoff；S-Methyl-1-thioallophanat；S-Methyl carbamoylcarbamothioate
• CAS: 34277-67-3
• 化学式: C₃H₆N₂O₂S
• 分子量: 134.159
• InChiKey: DQNCZIHVHJLKED-UHFFFAOYSA-N

物化性质

• 熔点：
  165-165.5 °C (decomp)
• 密度：
  1.358±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  8
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  97.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  S-methyl N-carbamoylcarbamothioate 、 异氰酸甲酯 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 以54%的产率得到3-methoxycarbonyl-2-methyl-1-methylcarbamoyl-isothiourea
  参考文献：
  名称：

  Use of isourea derivatives and triazine derivatives in combination with

  摘要：

  1-(烃基氨基甲酰基)-3-(羧基或烃基氧羰基)-异脲和异硫脲以及3-羧基化合物的内酰胺与赤霉素（可能自然存在于植物中）一起作为植物生长调节剂是有用的。

  公开号：

  US04211550A1
• 作为产物：
  描述：

  2-methyl-2-thiopseudobiuret hydroiodide 在 水 作用下， 生成 S-methyl N-carbamoylcarbamothioate
  参考文献：
  名称：

  Reaction of S-methiodide derivatives of activated thioureas with hydroxylic compounds. Novel synthesis of mercaptans

  摘要：

  DOI：

  10.1021/jo00975a015

文献信息

• The Reaction of<i>N</i>-Cyanocarbonimidate and Related Compounds with Hydroxylamine
  作者：Takayuki Suyama、Nobuyuki Ozawa、Noriyuki Suzuki

  DOI：10.1246/bcsj.67.307

  日期：1994.1

  O-ethyl S-methyl N-cyanocarbonimidothioate reacted with hydroxylamine to give 5-amino-3-ethoxy-1,2,4-oxadiazole, whereas diethyl N-cyanocarbonimidate reacted to give 3-amino-5-ethoxy-1,2,4-oxadiazole. The reaction of ethyl N-cyanocarbamate or S-methyl N-cyanothiocarbamate with hydroxylamine afforded 3-amino-1,2,4-oxadiazol-5(4H)-one.

  O-乙基S-甲基N-氰基碳亚胺硫酸酯与羟胺反应生成5-氨基-3-乙氧基-1,2,4-噁二唑，而二乙基N-氰基碳亚胺反应后生成3-氨基-5-乙氧基-1,2,4-噁二唑。乙基N-氰基氨基甲酸酯或S-甲基N-氰基硫氨基甲酸酯与羟胺的反应生成3-氨基-1,2,4-噁二唑-5(4H)-酮。
• Ul'yanova,A.I. et al., Journal of general chemistry of the USSR, 1975, vol. 45, p. 1176
  作者：Ul'yanova,A.I. et al.

  DOI：——

  日期：——
• Chlorination and Subsequent Cyclization to 1,3,4-Oxadiazoles of N1-Acyl-N3-cyanoguanidines and Related Compounds
  作者：Takayuki Suyama、Tadashi Hasegawa、Motokazu Oda、Masahiko Tomaru、Hiroyuki Ohkoshi

  DOI：10.3987/com-02-9630

  日期：——

  N-1-Acyl-, N-1-alkoxycarbonyl-, and N-1-(N,N-dialkylcarbamoyl)guanidines bearing electron-withdrawing cyano or sulfonyl group at the N-3-position were found to provide corresponding rearranged products, 1,3,4-oxadiazoles, when these guanidines were chlorinated by sodium hypochlorite followed by treating with base. Assignments of obtained compounds were accomplished by means of some reactions such as acid hydrolysis, alkoholysis, and catalytic hydrogenations, and of MS spectra.
• Use of isourea derivatives and triazine derivatives in combination with
  申请人：Sankyo Company Limited

  公开号：US04211550A1

  公开（公告）日：1980-07-08

  1-(Hydrocarbylcarbamoyl)-3-(carboxy or hydrocarbyloxycarbonyl)-isoureas and isothioureas and the lactams of the 3-carboxy compounds are useful, in association with a gibberellin (which may be naturally present in a plant), as plant growth regulators.

  1-(烃基氨基甲酰基)-3-(羧基或烃基氧羰基)-异脲和异硫脲以及3-羧基化合物的内酰胺与赤霉素（可能自然存在于植物中）一起作为植物生长调节剂是有用的。
• Reaction of S-methiodide derivatives of activated thioureas with hydroxylic compounds. Novel synthesis of mercaptans
  作者：Daniel L. Klayman、Robert J. Shine、J. David Bower

  DOI：10.1021/jo00975a015

  日期：1972.5