4-(6-(n,n-Dimethylsulfamoyl)-2-methylbenzo[d]thiazole-3-ium-3-yl)butane-1-sulfonate

HCID 57796639

基本信息

标准SMILES
Cc1sc2cc(S(=O)(=O)N(C)C)ccc2[n+]1CCCCS(=O)(=O)[O-]
InChIKey
IDCRTTYNBPOLHU-UHFFFAOYSA-N
分子式
C14H20N2O5S3
平均分子量
392.5 g/mol

名称与标识

首选名称
4-(6-(n,n-Dimethylsulfamoyl)-2-methylbenzo[d]thiazole-3-ium-3-yl)butane-1-sulfonate
IUPAC
4-[6-(dimethylsulfamoyl)-2-methyl-1,3-benzothiazol-3-ium-3-yl]butane-1-sulfonate

名称与别名

SCHEMBL611720IDCRTTYNBPOLHU-UHFFFAOYSA-N4-(6-(n,n-dimethylsulfamoyl)-2-methylbenzo[d]thiazole-3-ium-3-yl)butane-1-sulfonate4-(6-(n.n-dimethylsulfamoyl)-2-methylbenzo[d]thiazole-3-ium-3-yl)butane-1-sulfonate

数据库标识

PubChem CID
57796639

性质

结构计算性质

XLogP
1.5
极性表面积
143 Ų
氢键供体
0
氢键受体
7
可旋转键
6
重原子
24

相关反应

6 条

关联笔记

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