Dicethiamine hydrochloride structure

Dicethiamine hydrochloride

ethyl [2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-ethoxycarbonyloxypent-2-en-3-yl]sulfanylformate;hydrochloride

Also Known As: Dicethiamine hydrochloride

CAS: 616-96-6
Molecular Formula C18H27ClN4O6S
Molecular Weight 462.13397 g/mol
LogP 3.43
Topological Polar Surface Area 133.94 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 10
Rotatable Bonds 10
Exact Mass 462.13397
Heavy Atoms 30
Complexity 762.2

Chemical Identifiers

CAS Number 616-96-6
SMILES CCOC(=O)OCCC(=C(C)N(CC1=CN=C(N=C1N)C)C=O)SC(=O)OCC.Cl

Product Overview

Dicethiamine hydrochloride (CAS 616-96-6), with molecular formula C18H27ClN4O6S and molecular weight 462.13397 g/mol. IUPAC: ethyl [2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-ethoxycarbonyloxypent-2-en-3-yl]sulfanylformate;hydrochloride.

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