Thiamine chloride

About This Item

Molecular Formula	C₁₂H₁₇ClN₄OS
CAS Number	59-43-8

FC-0443104

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IUPAC Name	2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol chloride
SMILES	CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.[Cl-]
InChI Key	MYVIATVLJGTBFV-UHFFFAOYSA-M
InChI	InChI=1S/C12H17N4OS.ClH/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);1H/q+1;/p-1

Melting Point	125 °C
Density	6 g/cm3