4-methyl-1-ethoxycarbonylthiosemicarbazide | 53065-50-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 4-methyl-1-ethoxycarbonylthiosemicarbazide
• 英文别名: 1-Ethoxycarbonyl-4-methyl-3-thiosemicarbazid；4-Methyl-1-ethoxycarbonylthiosemicarbazid；Ethyl N-(methylcarbamothioylamino)carbamate
• CAS: 53065-50-2
• 化学式: C₅H₁₁N₃O₂S
• mdl: MFCD04240885
• 分子量: 177.227
• InChiKey: CGKDONBYFRNJST-UHFFFAOYSA-N

物化性质

• 密度：
  1.213±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  94.5
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  异硫氰酸甲酯 、 肼基甲酸乙酯 以 乙醚 为溶剂， 生成 4-methyl-1-ethoxycarbonylthiosemicarbazide
  参考文献：
  名称：

  Herbicidal sulphonylaminocarbonyltriazolinones having substituents which

  摘要：

  具有通过硫键合的取代基的除草剂磺酰氨基甲酰三唑烷，化学式为##STR1## 其中n代表数字0、1或2，R.sup.1代表氢、羟基或氨基，或代表选自包括烷基、烯基、炔基、环烷基、芳基烷基、芳基、烷氧基、烯氧基、烷基氨基、环烷基氨基和二烷基氨基的可选取代基，R.sup.2代表选自包括烷基、烯基、炔基、环烷基、环烯基、芳基烷基和芳基的可选取代基，R.sup.3代表选自包括烷基、芳基烷基、芳基和杂环芳基的可选取代基，以及化合物(I)的盐。新的化合物的化学式如下：##STR2## 其中n、R.sup.1和R.sup.2具有上述含义，Z代表卤素、烷氧基、芳基烷氧基或芳氧基。

  公开号：

  US05149356A1

文献信息

• Intermediates for herbicidal sulphonylaminocarbonyltriazolinones having
  申请人：Bayer Aktiengesellschaft

  公开号：US05599944A1

  公开（公告）日：1997-02-04

  Triazolinone intermediates, for herbicidal sulphonylaminocarbonyltriazolines having substituents which are bonded via sulphur, of the formula ##STR1## in which n is 0, and ______________________________________ R.sup.1' is and R.sup.2' is ______________________________________ (a) C.sub.2 H.sub.5 CH.sub.3 (b) C.sub.2 H.sub.5 C.sub.2 H.sub.5 (c) C.sub.2 H.sub.5 C.sub.3 H.sub.7 (d) C.sub.2 H.sub.5 CH(CH.sub.3).sub.2 (e) C.sub.2 H.sub.5 CH.sub.2CHCH.sub.2 (f) C.sub.3 H.sub.7 CH.sub.3 (g) C.sub.3 H.sub.7 C.sub.2 H.sub.5 (h) C.sub.3 H.sub.7 C.sub.3 H.sub.7 (i) C.sub.3 H.sub.7 CH(CH.sub.3).sub.2 (j) C.sub.3 H.sub.7 CH.sub.2CHCH.sub.2 (k) ##STR2## CH.sub.3 (l) ##STR3## C.sub.2 H.sub.5 (m) ##STR4## C.sub.3 H.sub.7 (n) ##STR5## CH(CH.sub.3).sub.2 (o) ##STR6## CH.sub.2CHCH.sub.2 (p) CH.sub.2CHCH.sub.2 C.sub.2 H.sub.5 (q) CH.sub.2CHCH.sub.2 CH.sub.2CHCH.sub.2 (r) CH.sub.2CHCH.sub.2 CH(CH.sub.3).sub.2 (s) CH.sub.2CHCH.sub.2 C.sub.3 H.sub.7 (t) ##STR7## CH.sub.2CCH (u) CH.sub.2CHCH.sub.2 CH.sub.2CCH (v) OCH.sub.3 CH.sub.3 (w) OCH.sub.3 C.sub.2 H.sub.5 (x) or in which n is 2, R.sup.1' is CH.sub.3, and R2' is CH.sub.3. ______________________________________

  三唑啉酮中间体，用于具有通过硫键合的取代基的除草磺酰氨基三唑啉的化学式为##STR1##其中n为0，______________________________________ R.sup.1'为，R.sup.2'为______________________________________ (a) C.sub.2 H.sub.5 CH.sub.3 (b) C.sub.2 H.sub.5 C.sub.2 H.sub.5 (c) C.sub.2 H.sub.5 C.sub.3 H.sub.7 (d) C.sub.2 H.sub.5 CH(CH.sub.3).sub.2 (e) C.sub.2 H.sub.5 CH.sub.2CHCH.sub.2 (f) C.sub.3 H.sub.7 CH.sub.3 (g) C.sub.3 H.sub.7 C.sub.2 H.sub.5 (h) C.sub.3 H.sub.7 C.sub.3 H.sub.7 (i) C.sub.3 H.sub.7 CH(CH.sub.3).sub.2 (j) C.sub.3 H.sub.7 CH.sub.2CHCH.sub.2 (k) ##STR2## CH.sub.3 (l) ##STR3## C.sub.2 H.sub.5 (m) ##STR4## C.sub.3 H.sub.7 (n) ##STR5## CH(CH.sub.3).sub.2 (o) ##STR6## CH.sub.2CHCH.sub.2 (p) CH.sub.2CHCH.sub.2 C.sub.2 H.sub.5 (q) CH.sub.2CHCH.sub.2 CH.sub.2CHCH.sub.2 (r) CH.sub.2CHCH.sub.2 CH(CH.sub.3).sub.2 (s) CH.sub.2CHCH.sub.2 C.sub.3 H.sub.7 (t) ##STR7## CH.sub.2CCH (u) CH.sub.2CHCH.sub.2 CH.sub.2CCH (v) OCH.sub.3 CH.sub.3 (w) OCH.sub.3 C.sub.2 H.sub.5 (x)或n为2，R.sup.1'为CH.sub.3，R2'为CH.sub.3。 ______________________________________
• Herbicidal sulphonylaminocarbonyltriazolinones having substituents which
  申请人：Bayer Aktiengesellschaft

  公开号：US05149356A1

  公开（公告）日：1992-09-22

  Herbicidal sulphonylaminocarbonyl-triazolinones having substituents which are bonded via sulphur, of the formula ##STR1## in which n represents the numbers 0, 1 or 2, R.sup.1 represents hydrogen, hydroxyl or amino, or represents an optionally substituted radical from the series comprising alkyl, alkenyl, alkinyl, cycloalkyl, aralkyl, aryl, alkoxy, alkenyloxy, alkylamino, cycloalkylamino and dialkylamino, R.sup.2 represents an optionally substituted radical from the series comprising alkyl, alkenyl, alkinyl, cycloalkyl, cycloalkenyl, aralkyl and aryl, and R.sup.3 represents an optionally substituted radical from the series comprising alkyl, aralkyl, aryl and heteroaryl, as well as salts of compounds of the formula (I), Also new are the compounds of the following formula: ##STR2## in which n, R.sup.1 and R.sup.2 have the abovementioned meanings and Z represents halogen, alkoxy, aralkoxy or aryloxy.

  具有通过硫键合的取代基的除草剂磺酰氨基甲酰三唑烷，化学式为##STR1## 其中n代表数字0、1或2，R.sup.1代表氢、羟基或氨基，或代表选自包括烷基、烯基、炔基、环烷基、芳基烷基、芳基、烷氧基、烯氧基、烷基氨基、环烷基氨基和二烷基氨基的可选取代基，R.sup.2代表选自包括烷基、烯基、炔基、环烷基、环烯基、芳基烷基和芳基的可选取代基，R.sup.3代表选自包括烷基、芳基烷基、芳基和杂环芳基的可选取代基，以及化合物(I)的盐。新的化合物的化学式如下：##STR2## 其中n、R.sup.1和R.sup.2具有上述含义，Z代表卤素、烷氧基、芳基烷氧基或芳氧基。