Acetylthiamine

2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl acetate chloride

Also Known As: Acetylthiamine|Thiamine acetate ester|O-acetyl-thiamin,chloride|5-(2-Acetoxyethyl)-3-((4-amino-2-methylpyrimidin-5-yl)methyl)-4-methylthiazol-3-ium chloride|2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl acetate;chloride|5-[2-(acetyloxy)ethyl]-3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium chloride|2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl acetate chloride|2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl acetate,chloride|5-(2-acetoxyethyl)-3-((4-amino-2-methylpyrimidin-5-yl)methyl)-4-methylthiazol-3-ium chloride? (Vitamin Impurity|5-[2-(Acetyloxy)ethyl]-3-[(6-imino-2-methyl-1,6-dihydropyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium chloride|Thiazolium, 5-(2-(acetyloxy)ethyl)-3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-4-methyl-, chloride

Molecular Formula	C14H19ClN4O2S
Molecular Weight	342.09174 g/mol
LogP	-1.81746
Topological Polar Surface Area	110.0 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	6
Exact Mass	342.09174
Monoisotopic Mass	342.09174
Heavy Atoms	22
Complexity	358.0

Chemical Identifiers

CAS Number	1037-29-2
SMILES	CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOC(=O)C.[Cl-]
InChIKey	MMSHYYQFAKJDON-UHFFFAOYSA-M