Thiothiamine

About This Item

Molecular Formula	C₁₂H₁₆N₄OS₂
CAS Number	299-35-4

FC-0874028

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Properties

Chemical Identifiers

IUPAC Name	3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazole-2-thione
SMILES	CC1=C(SC(=S)N1CC2=CN=C(N=C2N)C)CCO
InChI Key	SQOCQQPFEFRKBV-UHFFFAOYSA-N
InChI	InChI=1S/C12H16N4OS2/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)

Physical Properties

Boiling Point	509.6ºC at 760mmHg
Flash Point	262ºC
Density	1.42g/cm3

Safety Information

Hazard Class

Warning

Flash Point

262ºC

Please refer to the Safety Data Sheet (SDS) for complete handling, storage, and disposal instructions. Follow all applicable regulations when working with this chemical reagent.