sodium,2-(imidazol-1-ylmethyl)-4,5-dihydro-1-benzothiophene-6-carboxylate

sodium,2-(imidazol-1-ylmethyl)-4,5-dihydro-1-benzothiophene-6-carboxylate 基本信息
CAS号 113817-57-5 分子式 C13H11N2NaO2S
分子量 282.29300 精确质量  282.04400
PSA  86.19000 LogP  1.07240

基本信息 展开↓

CAS号:
113817-57-5
3D弹球模型:
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分子式:
C13H11N2NaO2S
分子量:
282.29300
英文名称:
sodium,2-(imidazol-1-ylmethyl)-4,5-dihydro-1-benzothiophene-6-carboxylate
英文别名:
sodium,2-(imidazol-1-ylmethyl)-4,5-dihydro-1-benzothiophene-6-carboxylate;
sodium 4,5-dihydro-2-(1-imidazolyl)methylthianaphthene-6-carboxylate;
C13H11N2O2S.Na;
sodium 2-(1-imidazolylmethyl)-4,5-dihydrobenzothiophene-6-carboxylate;
CS-518;
Benzo(b)thiophene-6-carboxylic acid,4,5-dihydro-2-(1H-imidazol-1-ylmethyl)-,sodium salt;
RS 5186;
soidum 2-(1-imidazolylmethyl)-4,5-dihydrobenzothiophene-6-carboxylate;
Imitrodast sodium;
Imitrodast sodium (JAN);
4,5-Dihydro-2-(1H-imidazol-1-ylmethyl)benzo(b)thiophene-6-carboxylic acid sodium salt
精确分子量/精确质量:
282.04400
极性分子表面积/PSA:
86.19000
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: BGXXYHIWOXFRLF-UHFFFAOYSA-M

物化性质展开↓

沸点:
494.6ºC at 760mmHg
闪点:
252.9ºC
蒸汽压:
1.33E-10mmHg at 25°C

合成路线查看所有的合成路线

  • 114685-83-5

    methyl 2-(1-imidazolylmethyl)-4,5-dihydrobenzo[b]thiophene-6-carboxylate

  • ~77%

  • 113817-57-5

    sodium,2-(imidazol-1-ylmethyl)-4,5-dihydro-1-benzothiophene-6-carboxylate

  • 114686-06-5

    7-hydroxy-4,5,6,7-tetrahydrobenzo[b]thiophene-6-carboxylic acid methyl ester

  • 113817-57-5

    sodium,2-(imidazol-1-ylmethyl)-4,5-dihydro-1-benzothiophene-6-carboxylate

  • 114686-04-3

    4,5-dihydrobenzo[b]thiophene-6-carboxylic acid methyl ester

  • 113817-57-5

    sodium,2-(imidazol-1-ylmethyl)-4,5-dihydro-1-benzothiophene-6-carboxylate

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  • 114685-83-5

    methyl 2-(1-imidazolylmethyl)-4,5-dihydrobenzo[b]thiophene-6-carboxylate

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    4,5-dihydrobenzo[b]thiophene-6-carboxylic acid methyl ester

  • 114686-06-5

    7-hydroxy-4,5,6,7-tetrahydrobenzo[b]thiophene-6-carboxylic acid methyl ester

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