HIT ID: HIT211999597
Cas No: 59-43-8
分子式: C12H17ClN4OS
分子量: 300.81
常用名: Thiamine monochloride
氢键受体数 (HBA): 1
氢键供体数 (HBD): 3
LogP: 1.39
IUPAC: 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chloride
IUPAC: 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chloride
SMILES: [Cl-].Cc1c(CCO)sc[n+]1Cc1cnc(C)nc1N
SMILES: [Cl-].Cc1c(CCO)sc[n+]1Cc1cnc(C)nc1N
InChI key: MYVIATVLJGTBFV-UHFFFAOYSA-M
