HCID194655

5-(beta-Hydroxyethyl)-4-methylthiazole-2-carboxylic acid

5-(2-hydroxyethyl)-4-methyl-1,3-thiazole-2-carboxylic acid

C7H9NO3S187.22 g/molCAS 75113-60-9

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IDENTITY

结构与身份

标准SMILES: Cc1nc(C(=O)O)sc1CCO
InChIKey: LNYKIGXWFDMPNZ-UHFFFAOYSA-N
分子式: C7H9NO3S
平均分子量: 187.22 g/mol
单同位素质量: 187.03031432

COMPUTED

结构计算性质

已同步

XLogP: 0.8
极性表面积: 98.7 Å²
氢键供体: 2
氢键受体: 5
可旋转键: 3
重原子: 12
形式电荷: 0
复杂度: 176

ALIASES

名称与别名

共 12 条

75113-60-9Hemtca5-(beta-Hydroxyethyl)-4-methylthiazole-2-carboxylic acidDTXSID602260822-Thiazolecarboxylic acid, 5-(2-hydroxyethyl)-4-methyl-RefChem:101754DTXCID601485735-(2-hydroxyethyl)-4-methyl-1,3-thiazole-2-carboxylic acid2-Thiazolecarboxylicacid, 5-(2-hydroxyethyl)-4-methyl-5-(2-hydroxyethyl)-4-methylthiazole-2-carboxylic acidSCHEMBL259971DA-38775

REACTIONS