Beclotiamine

5-[[5-(2-chloroethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]methyl]-2-methylpyrimidin-4-amine

Also Known As: Beclotiamine|Thiamine EP Impurity C|BECLOTIAMINE ION|CHLOROTHIAMINE ION|3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-chloroethyl)-4-methyl-1,3-thiazol-3-ium|CHLOROTHIAMINE [EP IMPURITY]|5-[[5-(2-chloroethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]methyl]-2-methylpyrimidin-4-amine|THIAMINE NITRATE IMPURITY C [EP IMPURITY]|THIAMINE HYDROCHLORIDE IMPURITY C [EP IMPURITY]|Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-chloroethyl)-4-methyl-|3-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)-5-(2-CHLOROETHYL)-4-METHYLTHIAZOLIUM|3-(4-Amino-2-methyl-5-pyrimidinylmethyl)-5-(2-chloroethyl)-4-methylthiazoliumhydroxide|3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-chloroethyl)-4-methylthiazol-3-ium|3-((4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL)-5-(2-CHLOROETHYL)-4-METHYL-1,3-THIAZOL-3-IUM

Molecular Formula	C12H16ClN4S+
Molecular Weight	283.07843 g/mol
LogP	1.85
Topological Polar Surface Area	55.68 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	4
Exact Mass	283.07843
Heavy Atoms	18
Complexity	553.0

Chemical Identifiers

CAS Number	20166-17-0
SMILES	CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCCl