110895-43-7 ((1-(N,N-dimethylcarbamoyl)-3-tert-butyl-5-carbethoxymethylthio-1H-1,2,4-triazole)

快速询单

结构式：

1-(N,N-dimethylcarbamoyl)-3-tert-butyl-5-carbethoxymethylthio-1H-1,2,4-triazoleMOL文件

CAS号：

110895-43-7

英文名称：

1-(N,N-dimethylcarbamoyl)-3-tert-butyl-5-carbethoxymethylthio-1H-1,2,4-triazole

分子式：

C₁₃H₂₂N₄O₃S

分子量：

314.403781414032

1-(N,N-dimethylcarbamoyl)-3-tert-butyl-5-carbethoxymethylthio-1H-1,2,4-triazole(110895-43-7)名称与标识符

名称

英文别名：

1-(N,N-dimethylcarbamoyl)-3-tert-butyl-5-carbethoxymethylthio-1H-1,2,4-triazole;{[1-(Diméthylcarbamoyl)-3-(2-méthyl-2-propanyl)-1H-1,2,4-triazol-5-yl]sulfanyl}acétate d'éthyle;Acetic acid, ((1-[(dimethylamino)carbonyl]-3-(1,1-dimethylethyl)-1H-1,2,4-triazol-5-yl)thio)-, ethyl ester;acetic acid, [[1-[(dimethylamino)carbonyl]-3-(1,1-dimethylethyl)-1H-1,2,4-triazol-5-yl]thio]-, ethyl ester;acetic acid, 2-[[1-[(dimethylamino)carbonyl]-3-(1,1-dimethylethyl)-1H-1,2,4-triazol-5-yl]thio]-, ethyl ester;Aphistar;1-dimethylcarbamoyl-3-t-butyl-5-carboethoxymethylthio-1,2,4-1H-triazole;DTXSID5034307;Triazamate;1-dimethylcarbamoyl-3-t-butyl-5-carboethoxymethylthio-1,2,4-triazole;TRIAZAMATE [ISO];ethyl {[3-tert-butyl-1-(dimethylcarbamoyl)-1H-1,2,4-triazol-5-yl]sulfanyl}acetate;1-dimethylcarbamoyl-3-t-butyl-5-carboethoxymethylthio-1H-1,2,4-triazole;WL-145158;RH-7988;ETHYL 2-((1-((DIMETHYLAMINO)CARBONYL)-3-(1,1-DIMETHYLETHYL)-1H-1,2,4-TRIAZOL-5-YL)THIO)ACETATE;Q3538727;RH7988;UNII-B4914SW93T;TRIAZAMATE [MI];EC 411-650-3;CHEBI:38576;ethyl 2-(3-tert-butyl-1-(dimethylcarbamoyl)-1H-1,2,4-triazol-5-ylthio)acetate;Triazamate 100 microg/mL in Cyclohexane;ethyl (3-tert-butyl-1-dimethylcarbamoyl-1h-1,2,4-triazol-5-ylthio)acetate;ethyl 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]acetate;((1-((DIMETHYLAMINO)CARBONYL)-3-(1,1-DIMETHYLETHYL)-1H-1,2,4-TRIAZOL-5-YL)THIO)ACETIC ACID ETHYL ESTER;Triazamat;AKOS040747549;Acetic acid, ((1-((dimethylamino)carbonyl)-3-(1,1-dimethylethyl)-1H-1,2,4-triazol-5-yl)thio)-, ethyl ester;Triazamate [ISO:BSI];112143-82-5;Triazamate 10 microg/mL in Cyclohexane;Triazamate, analytical standard;NS00004744;NKNFWVNSBIXGLL-UHFFFAOYSA-N;ethyl 2-((3-(tert-butyl)-1-(dimethylcarbamoyl)-1H-1,2,4-triazol-5-yl)thio)acetate;RH 7988;SCHEMBL27089;C18770;Triazuron;FT-0631060;1-DIMETHYLCARBAMOYL-3-TERT-BUTYL-5-CARBOETHOXYMETHYLTHIO-1,2,4-TRIAZOLE;MFCD01632354;110895-43-7;B4914SW93T;

标识符

InChIKey：

NKNFWVNSBIXGLL-UHFFFAOYSA-N

Inchi：

1S/C13H22N4O3S/c1-7-20-9(18)8-21-11-14-10(13(2,3)4)15-17(11)12(19)16(5)6/h7-8H2,1-6H3

SMILES：

S(CC(=O)OCC)C1=NC(C(C)(C)C)=NN1C(N(C)C)=O

1-(N,N-dimethylcarbamoyl)-3-tert-butyl-5-carbethoxymethylthio-1H-1,2,4-triazole(110895-43-7)物化性质

实验特性

PSA : 77.32
折射率 : 1.561
沸点 : 443.7°Cat760mmHg
熔点 : 53.0 °C
闪点 : 222.1°C
密度 : 1.2

计算特性

精确分子量 : 314.14146
氢键供体数量 : 0
氢键受体数量 : 4
可旋转化学键数量 : 6
同位素质量 : 314.141261
重原子数量 : 21
复杂度 : 384
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 2.7
拓扑分子极性表面积 : 103

1-(N,N-dimethylcarbamoyl)-3-tert-butyl-5-carbethoxymethylthio-1H-1,2,4-triazole(110895-43-7)安全信息

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