S-[(13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl)] N,N-dimethylcarbamothioate

S-[(13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl)] N,N-dimethylcarbamothioate 基本信息
CAS号 14864-27-8 分子式 C21H27NO2S
分子量 357.51000 精确质量  357.17600
PSA  62.68000 LogP  4.88550

基本信息 展开↓

CAS号:
14864-27-8
3D弹球模型:
立即前往扯扯看
分子式:
C21H27NO2S
分子量:
357.51000
英文名称:
S-[(13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl)] N,N-dimethylcarbamothioate
英文别名:
S-[(13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl)] N,N-dimethylcarbamothioate;
3--estran-17-on;
3-[(N,N-dimethylcarbamoyl)thio]estra-1,3,5(10)-trien-17-one;
S-[17-oxoestra-1,3,5(10)-trien-3-yl] dimethylcarbamothioate
精确分子量/精确质量:
357.17600
极性分子表面积/PSA:
62.68000
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: ZUOLMXQQBJUDAM-WIRSXHRWSA-N

物化性质展开↓

密度:
1.21g/cm3
沸点:
503.2ºC at 760mmHg
闪点:
258.1ºC
折射率:
1.609
蒸汽压:
2.97E-10mmHg at 25°C

合成路线查看所有的合成路线

  • 13522-76-4

    O-[17-羰基雌-1,3,5(10)-三烯-3-基]二甲基氨基甲硫酸酯

  • ~97%

  • 14864-27-8

    S-[(13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl)] N,N-dimethylcarbamothioate

  • 74040-94-1

    sodium salt of estrone

  • 14864-27-8

    S-[(13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl)] N,N-dimethylcarbamothioate

  • 53-16-7

    雌酚酮

  • 14864-27-8

    S-[(13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl)] N,N-dimethylcarbamothioate

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  • 13522-76-4

    O-[17-羰基雌-1,3,5(10)-三烯-3-基]二甲基氨基甲硫酸酯

  • 53-16-7

    雌酚酮

  • 74040-94-1

    sodium salt of estrone

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