硫胺甲酸乙酯 | 637-98-9

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫代羰基化合物
• 中文名称: 硫胺甲酸乙酯
• 中文别名: 硫烏拉坦
• 英文名称: S-ethyl thiocarbamate
• 英文别名: S-Ethyl carbamothioate
• CAS: 637-98-9
• 化学式: C₃H₇NOS
• 分子量: 105.161
• InChiKey: YRNIQASZWVFCJP-UHFFFAOYSA-N

物化性质

• 熔点：
  109°C
• 密度：
  1.100 (estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  6
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  68.4
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2930200090

反应信息

• 作为反应物：
  描述：

  硫胺甲酸乙酯 在 磷酸酐 作用下， 生成 硫氰酸乙酯
  参考文献：
  名称：

  Biilmann; Bjerrum, Chemische Berichte, 1917, vol. 50, p. 506

  摘要：

  DOI：
• 作为产物：
  描述：

  硫氰酸乙酯 在 盐酸 作用下， 生成 硫胺甲酸乙酯
  参考文献：
  名称：

  Ssergejew; Kolytschew; Kolytschew, Zhurnal Obshchei Khimii, 1937, vol. 7, p. 2865

  摘要：

  DOI：

文献信息

• Thiazole derivatives and pharmaceutical composition comprising the same
  申请人：Fujisawa Pharmaceutical Co., Ltd.

  公开号：US04649146A1

  公开（公告）日：1987-03-10

  The invention relates to novel pharmaceutical compounds for treatment for ulcer of the formula: ##STR1## wherein R.sup.1 is lower alkyl, carboxy, hydroxymethyl, halomethyl, lower alkylthiomethyl or hydroxyiminomethyl, R.sup.2 is hydrogen, hydroxy, lower alkyl, pyridyl, amino, lower alkylamino, pyridylamino or guanidino optionally substituted with dimethylaminomethylene, R.sup.3 is dihydroisoquinolyl which may be substituted with halogen, lower alkyl, lower alkoxy, carboxy, hydroxy, pyridyl, amino, lower alkylamino, pyridylamino or guanidino, Q is --CO--, and n is an integer of 0 or 1, and pharmaceutically acceptable salts thereof.

  该发明涉及一种用于治疗溃疡的新型药物化合物，其化学式为：##STR1## 其中R.sup.1为较低的烷基、羧基、羟甲基、卤代甲基、较低的烷基硫甲基或羟基亚甲基，R.sup.2为氢、羟基、较低的烷基、吡啶基、氨基、较低的烷基氨基、吡啶基氨基或胍基，可选择地取代二甲氨基亚甲基，R.sup.3为二氢异喹啉基，可取代卤素、较低的烷基、较低的烷氧基、羧基、羟基、吡啶基、氨基、较低的烷基氨基、吡啶基氨基或胍基，Q为--CO--，n为0或1，以及其药学上可接受的盐。
• Process for the preparation of asymmetrically substituted ureas,
  申请人：Chemie Linz Gesellschaft m.b.H.

  公开号：US05248755A1

  公开（公告）日：1993-09-28

  Process for the preparation of asymmetrically substituted ureas, carbamates, thiocarbamates or substituted isocyanates by reaction of an adduct of isocyanic acid and a tertiary amine with a primary and secondary amine, an alcohol, a thiol or a compound having one or two non-cumulated olefinic double bonds, and a process for the preparation of N-mono- or N,N-disubstituted ureas by reaction of ammonium isocyanate with a primary or secondary amine in a diluent.

  通过将异氰酸和三级胺的加合物与一级和二级胺、醇、硫醇或具有一个或两个非累积烯烃双键的化合物反应，制备不对称取代脲、碳酸酯、硫代碳酸酯或取代异氰酸的方法，以及通过在稀释剂中将铵异氰酸与一级或二级胺反应制备N-单取代或N,N-二取代脲的方法。
• Process for the preparation of substituted isocyanates
  申请人：Chemie Linz Gesellschaft m.b.H.

  公开号：US05091553A1

  公开（公告）日：1992-02-25

  Process for the preparation of asymmetrically substituted ureas, carbamates, thiocarbamates or substituted isocyanates by reaction of an adduct of isocyanic acid and a tertiary amine with a primary and secondary amine, an alcohol, a thiol or a compound having one or two non-cumulated olefinic double bonds.

  通过将异氰酸和三级胺的加合物与一级和二级胺、醇、硫醇或具有一个或两个非累积烯丙双键的化合物反应，制备不对称取代脲、碳酸酯、硫代碳酸酯或取代异氰酸的方法。
• Novel thiazole derivatives
  申请人：Roussel-UCLAF

  公开号：US03948925A1

  公开（公告）日：1976-04-06

  Novel compounds of the formula ##EQU1## wherein X is selected from the group consisting of oxygen and sulfur, X.sub.1 is selected from the group consisting of alkyl of 1 to 6 carbon atoms, cyano and ##EQU2## Y.sub.1 is selected from the group consisting of alkyl of 1 to 6 carbon atoms, alkoxy of 1 to 6 carbon atoms and amino, n is 0, 1 or 2, X.sub.2 is selected from the group consisting of hydrogen, chlorine, bromine, alkyl of 1 to 6 carbon atoms, cyano and ##EQU3## R is alkyl of 1 to 6 carbon atoms, R.sub.1 is selected from the group consisting of alkyl of 1 to 6 carbon atoms, alkoxy of 1 to 6 carbon atoms and ##EQU4## and R.sub.2 and R.sub.3 are selected from the group consisting of hydrogen and alkyl of 1 to 6 carbon atoms with the proviso that X.sub.1 is other than alkyl when X.sub.2 is alkyl or hydrogen, having insecticidal, nematocidal and acaricidal properties.

  式##EQU1##的新化合物，其中X选自氧和硫，X.sub.1选自1至6个碳原子的烷基、氰基和##EQU2##，Y.sub.1选自1至6个碳原子的烷基、1至6个碳原子的烷氧基和氨基，n为0、1或2，X.sub.2选自氢、氯、溴、1至6个碳原子的烷基、氰基和##EQU3##，R为1至6个碳原子的烷基，R.sub.1选自1至6个碳原子的烷基、1至6个碳原子的烷氧基和##EQU4##，R.sub.2和R.sub.3选自氢和1至6个碳原子的烷基，但条件是当X.sub.2为烷基或氢时，X.sub.1不是烷基，具有杀虫、杀线虫和杀螨的特性。
• Synthesis of 5-Alkyl(aryl)-2-alkylsulfanyl(alkoxy)-4-hydroxy-6H-1,3-oxazin-6-ones
  作者：B. Yu. Lalaev、I. P. Yakovlev、V. E. Zakhs

  DOI：10.1007/s11176-005-0245-7

  日期：2005.3

  Alkyl carbamates and S-alkyl thiocarbamates react with substituted malonyl dichlorides in boiling benzene to give the corresponding 2,5-substituted 4-hydroxy-6H-1,3-oxazin-6-ones. The reaction of S-methyl thiocarbamate with unsubstituted malonyl dichloride in boiling diethyl ether or benzene leads to formation of S-methyl (3-methylsulfanylaminocarbonyl-3-oxopropionyl)thiocarbamate and is not accompanied by cyclization, whereas in boiling toluene 4-hydroxy-2-methylsulfanyl-6H-1,3-oxazin-6-one is obtained.

  烷基 carbamate 和 S-烷基 thiocarbamate 与取代的马洛尼尔二氯化物在沸腾的苯中反应，生成相应的 2,5-取代的 4-羟基-6H-1,3-氧唑-6-酮。S-甲基 thiocarbamate 与未取代的马洛尼尔二氯化物在沸腾的二乙醚或苯中反应，生成 S-甲基 (3-甲基硫氨基碳酰基-3-氧代丙酰基) thiocarbamate，且不伴随环化；而在沸腾的甲苯中则获得 4-羟基-2-甲基硫基-6H-1,3-氧唑-6-酮。