490-82-4
中文名称
硫胺素杂质D
英文名称
3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methylthiazol-2(3H)-one
CAS
490-82-4
分子式
C12H16N4O2S
分子量
280.35
MOL 文件
490-82-4.mol
更新日期
2026/11/06 10:30:02
490-82-4 结构式
基本信息
中文别名
羰基硫胺硫胺杂质D
硫胺素杂质D
英文别名
Oxo ThiaMineThiaminthiazolone
ThiaMine IMpurity D
thiamine thiazolone
3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-thiazol-2-one
3-[(4-AMino-2-Methyl-5-pyriMidinyl)Methyl]-5-(2-hydroxyethyl)-4-Methyl-2(3H)-thiazolone
3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methylthiazol-2(3H)-one
3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methylthiazol-2(3H)-one
3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-one
3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-one
所属类别
生物：小分子化合物物理化学性质
熔点237 °C
沸点507.0±60.0 °C(Predicted)
密度1.378±0.06 g/cm3(Predicted)
储存条件Refrigerator
溶解度可溶于DMSO（略微加热）、甲醇（略微加热）
酸度系数(pKa)14.77±0.10(Predicted)
形态固体
颜色白色至灰白色
主要应用pharmaceutical
InChI1S/C12H16N4O2S/c1-7-10(3-4-17)19-12(18)16(7)6-9-5-14-8(2)15-11(9)13/h5,17H,3-4,6H2,1-2H3,(H2,13,14,15)
InChIKeyVXCONGLPCAPYEU-UHFFFAOYSA-N
SMILES[s]1[c]([n](c(c1CCO)C)Cc2c(nc(nc2)C)N)=O
CAS 数据库490-82-4