6-(azepan-1-yl)-1-ethyl-4-methyl-5-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-oxopyridine-3-carbonitrile

6-(azepan-1-yl)-1-ethyl-4-methyl-5-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-oxopyridine-3-carbonitrile 基本信息
CAS号 7063-93-6 分子式 C20H24N4O2S2
分子量 416.56000 精确质量  416.13400
PSA  126.73000 LogP  3.26258

基本信息 展开↓

CAS号:
7063-93-6
3D弹球模型:
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分子式:
C20H24N4O2S2
分子量:
416.56000
英文名称:
6-(azepan-1-yl)-1-ethyl-4-methyl-5-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-oxopyridine-3-carbonitrile
英文别名:
6-(azepan-1-yl)-1-ethyl-4-methyl-5-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-oxopyridine-3-carbonitrile;
3-methyl-5-vinylisoxazole;
6-(azepan-1-yl)-1-ethyl-4-methyl-5-[(3-methyl-4-oxo-2-sulfanylidene-thiazolidin-5-ylidene)methyl]-2-oxo-pyridine-3-carbonitrile;
5-Vinyl-3-methyl-isoxazol
精确分子量/精确质量:
416.13400
极性分子表面积/PSA:
126.73000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
InChI:
The Key: OTWQLQKFCIZMFQ-UHFFFAOYSA-N

物化性质展开↓

密度:
1.36g/cm3
沸点:
437.2ºC at 760 mmHg
闪点:
218.2ºC
折射率:
1.668

合成路线查看所有的合成路线

  • 98416-79-6

    98416-79-6

  • ~59%

  • 7063-93-6

    6-(azepan-1-yl)-1-ethyl-4-methyl-5-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-oxopyridine-3-carbonitrile

  • 689-97-4

    乙烯基乙炔

  • +

  • 683-58-9

    ACETOHYDROXIMOYL CHLORIDE

  • 7063-93-6

    6-(azepan-1-yl)-1-ethyl-4-methyl-5-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-oxopyridine-3-carbonitrile

  • +

  • 7063-94-7

    6-(azepan-1-yl)-1-ethyl-5-[[3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-4-methyl-2-oxopyridine-3-carbonitrile

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