O-[4-(2-phenylpropan-2-yl)phenyl] N-[2-methyl-5-[[4-(2-phenylpropan-2-yl)phenoxy]carbothioylamino]phenyl]carbamothioate

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: O-[4-(2-phenylpropan-2-yl)phenyl] N-[2-methyl-5-[[4-(2-phenylpropan-2-yl)phenoxy]carbothioylamino]phenyl]carbamothioate
• 化学式: C₃₉H₃₈N₂O₂S₂
• 分子量: 630.875
• InChiKey: LTGBFDDGNCYSHA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.4
• 重原子数：
  45
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  107
• 氢给体数：
  2
• 氢受体数：
  4

文献信息

• ISOTHIOCYANATE PRODUCTION METHOD, COMPOSITION FOR TRANSPORTING AND STORING N-SUBSTITUTED O-SUBSTITUTED THIOCARBAMATE, AND ISOTHIOCYANATE COMPOSITION
  申请人：ASAHI KASEI CHEMICALS CORPORATION

  公开号：US20160016901A1

  公开（公告）日：2016-01-21

  The present invention relates to an isothiocyanate production method using an organic primary amine and thiourea as starting materials; to a composition for transporting and storing an N-substituted O-substituted thiocarbamate that includes an N-substituted O-substituted thiocarbamate and a hydroxy compound, the equivalent weight ratio of hydroxy groups of the hydroxy compound with respect to the carbamate groups of the N-substituted O-substituted thiocarbamate being in the range of 1 to 100; to a composition for transporting and storing a compound with a thioureido group that includes a compound with a thioureido group and a hydroxy compound, the equivalent weight ratio of hydroxy groups of the hydroxy compound with respect to the thioureido groups of the compound with a thioureido group being in the range of 1 to 100; and to an isothiocyanate composition containing an isothiocyanate and a compound with a specific functional group.

  该发明涉及一种使用有机初级胺和硫脲作为起始原料的异硫氰酸酯生产方法；一种用于运输和储存N-取代O-取代硫代氨基甲酸酯的组合物，包括N-取代O-取代硫代氨基甲酸酯和羟基化合物，羟基化合物的羟基与N-取代O-取代硫代氨基甲酸酯的羰基的当量重量比在1到100的范围内；一种用于运输和储存具有硫脲基团的化合物的组合物，包括具有硫脲基团的化合物和羟基化合物，羟基化合物的羟基与具有硫脲基团的化合物的硫脲基团的当量重量比在1到100的范围内；以及含有异硫氰酸酯和具有特定功能基团的化合物的异硫氰酸酯组合物。
• Isothiocyanate production method, composition for transporting and storing N-substituted O-substituted thiocarbamate, and isothiocyanate composition
  申请人：Asahi Kasei Chemicals Corporation

  公开号：US10308601B2

  公开（公告）日：2019-06-04

  The present invention relates to an isothiocyanate production method using an organic primary amine and thiourea as starting materials; to a composition for transporting and storing an N-substituted O-substituted thiocarbamate that includes an N-substituted O-substituted thiocarbamate and a hydroxy compound, the equivalent weight ratio of hydroxy groups of the hydroxy compound with respect to the carbamate groups of the N-substituted O-substituted thiocarbamate being in the range of 1 to 100; to a composition for transporting and storing a compound with a thioureido group that includes a compound with a thioureido group and a hydroxy compound, the equivalent weight ratio of hydroxy groups of the hydroxy compound with respect to the thioureido groups of the compound with a thioureido group being in the range of 1 to 100; and to an isothiocyanate composition containing an isothiocyanate and a compound with a specific functional group.

  本发明涉及一种以有机伯胺和硫脲为起始原料的异硫氰酸盐生产方法；涉及一种用于运输和储存N-取代O-取代硫代氨基甲酸酯的组合物，该组合物包括N-取代O-取代硫代氨基甲酸酯和羟基化合物，羟基化合物的羟基与N-取代O-取代硫代氨基甲酸酯的氨基甲酸酯基团的当量重量比在1至100之间；运输和储存硫代氨基化合物的组合物，其中包括硫代氨基化合物和羟基化合物，羟基化合物的羟基与硫代氨基化合物的硫代氨基的当量重量比在 1 至 100 之间；以及 异硫氰酸盐组合物，其中包括异硫氰酸盐和具有特定官能团的化合物。
• Isothiocyanate Production Method, Composition for Transporting and Storing N-Substituted O-Substituted Thiocarbamate, and Isothiocyanate Composition
  申请人：Asahi Kasei Kabushiki Kaisha

  公开号：US20190233371A1

  公开（公告）日：2019-08-01

  The present invention relates to an isothiocyanate production method using an organic primary amine and thiourea as starting materials; to a composition for transporting and storing an N-substituted O-substituted thiocarbamate that includes an N-substituted O-substituted thiocarbamate and a hydroxy compound, the equivalent weight ratio of hydroxy groups of the hydroxy compound with respect to the carbamate groups of the N-substituted O-substituted thiocarbamate being in the range of 1 to 100; to a composition for transporting and storing a compound with a thioureido group that includes a compound with a thioureido group and a hydroxy compound, the equivalent weight ratio of hydroxy groups of the hydroxy compound with respect to the thioureido groups of the compound with a thioureido group being in the range of 1 to 100; and to an isothiocyanate composition containing an isothiocyanate and a compound with a specific functional group.
• [EN] ISOTHIOCYANATE PRODUCTION METHOD, COMPOSITION FOR TRANSPORTING AND STORING N-SUBSTITUTED O-SUBSTITUTED THIOCARBAMATE, AND ISOTHIOCYANATE COMPOSITION<br/>[FR] PROCÉDÉ DE PRODUCTION D'ISOTHIOCYANATE, COMPOSITION POUR LE TRANSPORT ET LE STOCKAGE DE THIOCARBAMATE N-SUBSTITUÉ O-SUBSTITUÉ, ET COMPOSITION D'ISOTHIOCYANATE
  申请人：ASAHI KASEI CHEMICALS CORP

  公开号：WO2014136690A1

  公开（公告）日：2014-09-12

  　本発明は、有機第１アミンとチオ尿素とを原料としてイソチオシアネートを製造する方法；Ｎ－置換－Ｏ－置換チオカルバメートとヒドロキシ化合物とを含み、Ｎ－置換－Ｏ－置換チオカルバメートのカルバメート基当量に対するヒドロキシ化合物のヒドロキシ基当量の比が１～１００の範囲である、Ｎ－置換－Ｏ－置換チオカルバメートの移送用及び貯蔵用組成物；チオウレイド基を有する化合物とヒドロキシ化合物とを含み、チオウレイド基を有する化合物のチオウレイド基当量に対するヒドロキシ化合物のヒドロキシ基当量の比が１～１００の範囲である、チオウレイド基を有する化合物の移送用及び貯蔵用組成物；並びに、イソチオシアネートと特定の官能基を有する化合物とを含有するイソチオシアネート組成物に関する。