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Thiothiamine

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For Research Use Only | Not For Clinical Use
CATAPS299354
CAS299-35-4
Structure
SynonymsThiamine Hydrochloride Imp. E (EP),3-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methylthiazol-2(3H)-thione, Thioxothiamine
IUPAC Name3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazole-2-thione
Molecular Weight296.41
Molecular FormulaC12H16N4OS2
Canonical SMILESCC1=C(CCO)SC(=S)N1Cc2cnc(C)nc2N
InChIInChI=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)
Accurate Mass296.0766
FormatNeat
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