API0232064

Thiamylal Sodium

Thiamine and Thiamine Hydrochloride are Vitamin B1 supplements.

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Molecular Weight (g/mol)

276.33
Molecular Formula

C12H17N2NaO2S
InChI

InChI=1S/C12H18N2O2S.Na/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16;/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17);/q;+1/p-1
InChIKey

LYZGJWXNOGIVQA-UHFFFAOYSA-M
SMILES

CCCC(C)C1(C(=O)NC(=NC1=O)[S-])CC=C.[Na+]
IUPAC Name

sodium;4,6-dioxo-5-pentan-2-yl-5-prop-2-enyl-1H-pyrimidine-2-thiolate
Exact Mass (Da)

276.09084324
Monoisotopic Mass (Da)

276.09084324

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