C13H22N3O2S2.Cl structure

C13H22N3O2S2.Cl

3-[[2-(2-acetamidoethyl)-1,3-thiazole-4-carbonyl]amino]propyl-dimethylsulfanium chloride

Also Known As: 3-(((2-(2-(Acetylamino)ethyl-4-thiazolyl)carbonyl)amino)propyl)dimethylsulfonium chloride|Sulfonium, 3-(((2-(2-(acetylamino)ethyl-4-thiazolyl)carbonyl)amino)propyl)dimethyl-, chloride|3-[[2-(2-acetamidoethyl)-1,3-thiazole-4-carbonyl]amino]propyl-dimethylsulfanium chloride|3-[[2-(2-acetamidoethyl)-1,3-thiazole-4-carbonyl]amino]propyl-dimethylsulfanium,chloride

CAS: 80337-63-9
Molecular Formula C13H22ClN3O2S2
Molecular Weight 351.0842 g/mol
LogP -2.1765
Topological Polar Surface Area 100.0 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
Rotatable Bonds 8
Exact Mass 351.0842
Monoisotopic Mass 351.0842
Heavy Atoms 21
Complexity 327.0

Chemical Identifiers

CAS Number 80337-63-9
SMILES CC(=O)NCCC1=NC(=CS1)C(=O)NCCC[S+](C)C.[Cl-]
InChIKey BEPLKNLKTCLPAD-UHFFFAOYSA-N

Product Overview

C13H22N3O2S2.Cl (CAS 80337-63-9), with molecular formula C13H22ClN3O2S2 and molecular weight 351.0842 g/mol. IUPAC: 3-[[2-(2-acetamidoethyl)-1,3-thiazole-4-carbonyl]amino]propyl-dimethylsulfanium chloride.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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