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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP026474

vitamine B1

Formula: C12H18Cl2N4OS  |  Mol. Weight: 337.30 g/mol

IUPAC: 2-[3-[(4-amino-2-methylpyrimidin-1-ium-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;dichloride

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Overview

Molecular Formula C12H18Cl2N4OS
Molecular Weight 337.30 g/mol
Canonical SMILES CC1=C(SC=[N+]1CC2=C[NH+]=C(N=C2N)C)CCO.[Cl-].[Cl-]

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy