N,S-Diacetylcysteinamide structure

N,S-Diacetylcysteinamide

O-[(2S)-2-acetamido-3-amino-3-oxopropyl] ethanethioate

Also Known As: N,S-Diacetylcysteinamide|O-[(2S)-2-acetamido-3-amino-3-oxopropyl] ethanethioate|Ethanethioic acid, S-(2-(acetylamino)-3-amino-3-oxopropyl) ester|Thioacetic acid S-(2-acetylamino-2-carbamoyl-ethyl) ester|3-(Ethanethioyloxy)-2-[(1-hydroxyethylidene)amino]propanimidic acid|(2S)-3-(Ethanethioyloxy)-2-[(1-hydroxyethylidene)amino]propanimidic acid

CAS: 36914-44-0
Molecular Formula C7H12N2O3S
Molecular Weight 204.05687 g/mol
LogP -0.1
Topological Polar Surface Area 114.0 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
Rotatable Bonds 5
Exact Mass 204.05687
Monoisotopic Mass 204.05687
Heavy Atoms 13
Complexity 230.0

Chemical Identifiers

CAS Number 36914-44-0
SMILES CC(=O)N[C@@H](COC(=S)C)C(=O)N
InChIKey BQICYXXJILPEEV-LURJTMIESA-N

Product Overview

N,S-Diacetylcysteinamide (CAS 36914-44-0), with molecular formula C7H12N2O3S and molecular weight 204.05687 g/mol. IUPAC: O-[(2S)-2-acetamido-3-amino-3-oxopropyl] ethanethioate.

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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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