2-isocyanato-5-trifluoromethyl-1,3,4-thiadiazole dimer | 60928-16-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-isocyanato-5-trifluoromethyl-1,3,4-thiadiazole dimer
• CAS: 60928-16-7
• 化学式: C₈F₆N₆O₂S₂
• 分子量: 390.249
• InChiKey: SJOQXOJGWWJRAD-UHFFFAOYSA-N

物化性质

• 沸点：
  363.7±52.0 °C(Predicted)
• 密度：
  2.018±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.99
• 重原子数：
  24.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  92.18
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  2-isocyanato-5-trifluoromethyl-1,3,4-thiadiazole dimer 、 甲氨基乙醛缩二甲醇 以 苯 为溶剂， 生成 1-(2,2-Dimethoxy-ethyl)-1-methyl-3-(5-trifluoromethyl-[1,3,4]thiadiazol-2-yl)-urea
  参考文献：
  名称：

  1-Thiadiazolyl-5-phenoxy- and phenylthioalkanoyloxy imidazolidinones

  摘要：

  该发明揭示了新的化合物，其结构式为##STR1## 其中R.sup.1选自烷基、环烷基、烯基、卤代烷基、烷氧基、烷硫基、烷基磺酰基和烷基亚磺酰基组成的群体；R.sup.2选自烷基、烯基、卤代烷基和##STR2## 其中R.sup.3和R.sup.4分别选自氢和烷基；m为1到3的整数；Y为氧或硫；X选自烷基、烯基、烷氧基、烷硫基、卤素、卤代烷基、硝基和氰基组成的群体；n为0到5的整数。还揭示了上述化合物的除草用途。

  公开号：

  US04053480A1
• 作为产物：
  描述：

  2-氨基-5-三氟甲基-1,3,4-噻二唑 在 光气 作用下， 以 乙酸乙酯 为溶剂， 生成 2-isocyanato-5-trifluoromethyl-1,3,4-thiadiazole dimer
  参考文献：
  名称：

  1-Thiadiazolyl-5-phenoxy- and phenylthioalkanoyloxy imidazolidinones

  摘要：

  该发明揭示了新的化合物，其结构式为##STR1## 其中R.sup.1选自烷基、环烷基、烯基、卤代烷基、烷氧基、烷硫基、烷基磺酰基和烷基亚磺酰基组成的群体；R.sup.2选自烷基、烯基、卤代烷基和##STR2## 其中R.sup.3和R.sup.4分别选自氢和烷基；m为1到3的整数；Y为氧或硫；X选自烷基、烯基、烷氧基、烷硫基、卤素、卤代烷基、硝基和氰基组成的群体；n为0到5的整数。还揭示了上述化合物的除草用途。

  公开号：

  US04053480A1

文献信息

• Herbicidal carbonates and thiocarbonates of
  申请人：Velsicol Chemical Corporation

  公开号：US04040812A1

  公开（公告）日：1977-08-09

  Disclosed are new compounds of the formula ##STR1## wherein R.sup.1 is selected from the group consisting of alkyl, alkenyl, haloalkyl, alkoxy, alkylthio, alkylsulfonyl, alkylsulfinyl and cycloalkyl; R.sup.2 is selected from the group consisting of alkyl, alkenyl, haloalkyl and ##STR2## wherein R.sup.3 and R.sup.4 are each selected from the group consisting of hydrogen and alkyl; Z is selected from the group consisting of oxygen and sulfur; and R.sup.5 is selected from the group consisting of alkyl, haloalkyl, alkenyl, alkynyl, alkoxyalkyl, cycloalkyl and ##STR3## WHEREIN X is selected from the group consisting of alkyl, halogen, haloalkyl, nitro, cyano and alkoxy, and m and n are each integers from 0 to 3. The subject compounds are useful as herbicides.

  揭示了新化合物的结构式如下：其中R.sup.1从烷基、烯基、卤代烷基、烷氧基、烷硫基、烷基磺酰基、烷基亚砜基和环烷基中选择；R.sup.2从烷基、烯基、卤代烷基和中选择；其中R.sup.3和R.sup.4各自从氢和烷基中选择；Z从氧和硫中选择；R.sup.5从烷基、卤代烷基、烯基、炔基、烷氧基烷基、环烷基和中选择；其中X从烷基、卤素、卤代烷基、硝基、氰基和烷氧基中选择，m和n分别为0到3的整数。这些化合物可用作除草剂。
• 1-Thiadiazolyl-6-acyloxytetrahydropyrimidinone herbicides
  申请人：Velsicol Chemical Corporation

  公开号：US04006009A1

  公开（公告）日：1977-02-01

  Disclosed are new compounds of the formula ##STR1## wherein R.sup.1 is selected from the group consisting of alkyl, alkenyl, haloalkyl, alkoxy, alkylthio, alkylsulfonyl and alkylsulfinyl; R.sup.2 is selected from the group consisting of alkyl, alkenyl, haloalkyl and ##STR2## wherein R.sup.3 and R.sup.4 are each selected from the group consisting of hydrogen and alkyl; and R.sup.5 is selected from the group consisting of alkyl, haloalkyl, alkenyl, alkynyl, alkoxyalkyl, cycloalkyl and ##STR3## WHEREIN X is selected from the group consisting of alkyl, halogen, haloalkyl, nitro, cyano and alkoxy, and m and n are each integers from 0 to 3. The subject compounds are useful as herbicides.

  揭示了新的化合物，其化学式为##STR1##其中R.sup.1选自由烷基、烯基、卤代烷基、烷氧基、烷基硫醚、烷基磺酰基和烷基亚磺酰基组成的群体；R.sup.2选自由烷基、烯基、卤代烷基和##STR2##其中R.sup.3和R.sup.4各自选自氢和烷基的群体；R.sup.5选自由烷基、卤代烷基、烯基、炔基、烷氧基烷基、环烷基和##STR3##其中X选自由烷基、卤素、卤代烷基、硝基、氰基和烷氧基，m和n分别为0到3的整数。这些化合物可用作除草剂。
• 1-Thiadiazolyl-6-alkoxytetrahydropyrimidinones
  申请人：Velsicol Chemical Corporation

  公开号：US03932410A1

  公开（公告）日：1976-01-13

  Disclosed are new compounds of the formula ##EQU1## wherein R.sup.1 is selected from the group consisting of alkyl, alkenyl, haloalkyl, alkoxy, alkylthio, alkylsulfonyl and alkylsulfinyl; R.sup.2 is selected from the group consisting of alkyl, alkenyl, haloalkyl and ##EQU2## wherein R.sup.3 and R.sup.4 are each selected from the group consisting of hydrogen and alkyl; and R.sup.5 is alkyl. The subject compounds are useful as herbicides.

  揭示了新的化合物，其化学式为##EQU1##其中R.sup.1选自烷基、烯基、卤代烷基、烷氧基、烷硫基、烷基磺酰基和烷基亚砜基等基团；R.sup.2选自烷基、烯基、卤代烷基和##EQU2##其中R.sup.3和R.sup.4分别选自氢和烷基；R.sup.5为烷基。这些化合物可用作除草剂。
• 1-Thiadiazoly-6-carbamoyloxytetrahydropyrimidinones
  申请人：Velsicol Chemical Corporation

  公开号：US03951976A1

  公开（公告）日：1976-04-20

  Disclosed are new compounds of the formula ##EQU1## wherein R.sup.1 is selected from the group consisting of alkyl, alkenyl, haloalkyl, alkoxy, alkylthio, alkylsulfonyl and alkylsulfinyl; R.sup.2 is selected from the group consisting of alkyl, alkenyl, haloalkyl and ##EQU2## wherein R.sub.3 and R.sup.4 are each selected from the group consisting of hydrogen and alkyl; R.sup.5 is selected from the group consisting of hydrogen and alkyl; and R.sup.6 is selected from the group consisting of alkyl, cycloalkyl and ##SPC1## Wherein X is selected from the group consisting of alkyl, halogen, haloalkyl and alkoxy, and n is an integer from 0 to 3. The subject compounds are useful as herbicides.

  揭示了新的化合物，其化学式为##EQU1##其中R.sup.1选自烷基、烯基、卤代烷基、烷氧基、烷硫基、烷磺基和烷亚磺基组成的群；R.sup.2选自烷基、烯基、卤代烷基和##EQU2##其中R.sub.3和R.sup.4分别选自氢和烷基；R.sup.5选自氢和烷基；R.sup.6选自烷基、环烷基和##SPC1##其中X选自烷基、卤素、卤代烷基和烷氧基，n为0至3的整数。这些化合物可用作除草剂。
• 1-Thiadiazolyl-5-carbamoyloxyimidazolidinones
  申请人：VELSICOL CHEMICAL CORPORATION

  公开号：US03925402A1

  公开（公告）日：1975-12-09

  This invention discloses new compounds of the formula N--NY PARALLEL PARALLEL PARALLEL R3 R1-CC-N--CH-O-C-N ANGLE ANGLE R4 SCCH2 PARALLEL ANGLE ON R2 wherein R1 is selected from the group consisting of alkyl, alkenyl, haloalkyl, alkoxy, alkylthio, alkylsufonyl and alkylsulfinyl; R2 is alkyl; R3 is selected from the group consisting of hydrogen and alkyl; Y is selected from the group consisting of oxygen and sulfur; and R4 is selected from the group consisting of hydrogen, alkyl, cycloalkyl and WHEREIN X is selected from the group consisting of alkyl, halogen, haloalkyl and alkoxy, and n is an integer from 0 to 5.

  这项发明揭示了新的化合物，其化学式为N--NY R3 R1-CC-N--CH-O-C-N R4 SCCH2 R2，其中R1选自烷基、烯基、卤代烷基、烷氧基、烷硫基、烷磺酰基和烷基亚磺酰基组成的基团；R2为烷基；R3选自氢和烷基；Y选自氧和硫；R4选自氢、烷基、环烷基和X选自烷基、卤素、卤代烷基和烷氧基的基团，n为0至5的整数。