beta-Alanine, N-(chlorothio)-N-(1-methylethyl)-, ethyl ester structure

beta-Alanine, N-(chlorothio)-N-(1-methylethyl)-, ethyl ester

ethyl 3-[chlorosulfanyl(propan-2-yl)amino]propanoate

Also Known As: ethyl 3-[chlorosulfanyl(propan-2-yl)amino]propanoate|beta-Alanine, N-(chlorothio)-N-(1-methylethyl)-, ethyl ester|Ethyl 3-(chlorosulfanyl-propan-2-yl-amino)propanoate|Ethyl N-(chlorosulfanyl)-N-(propan-2-yl)-beta-alaninate|b-Alanine,N-(chlorothio)-N-(1-methylethyl)-, ethyl ester

CAS: 83129-89-9
Molecular Formula C8H16ClNO2S
Molecular Weight 225.05902 g/mol
LogP 2.5
Topological Polar Surface Area 54.8 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
Rotatable Bonds 6
Exact Mass 225.05902
Monoisotopic Mass 225.05902
Heavy Atoms 13
Complexity 155.0

Chemical Identifiers

CAS Number 83129-89-9
SMILES CCOC(=O)CCN(C(C)C)SCl
InChIKey QQFIULJNMVXXQZ-UHFFFAOYSA-N

Patent-Derived Application Labels

Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.

Agrochemicals (2 patents) Organic Building Blocks (7 patents)

Product Overview

beta-Alanine, N-(chlorothio)-N-(1-methylethyl)-, ethyl ester (CAS 83129-89-9), with molecular formula C8H16ClNO2S and molecular weight 225.05902 g/mol. IUPAC: ethyl 3-[chlorosulfanyl(propan-2-yl)amino]propanoate.

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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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