N-[2-(4-Methylphenylthio)ethyl]alanine structure

N-[2-(4-Methylphenylthio)ethyl]alanine

2-[2-(4-methylphenyl)sulfanylethylamino]propanoic acid

Also Known As: N-[2-(4-Methylphenylthio)ethyl]alanine|N-(2-[(4-Methylphenyl)sulfanyl]ethyl)alanine #|2-[[2-[(4-methylphenyl)thio]ethyl]amino]-propanoic acid|2-[2-(4-methylphenyl)sulfanylethylamino]propanoic acid

CAS: 64276-34-2
Molecular Formula C12H17NO2S
Molecular Weight 239.098 g/mol
LogP 0.1
Topological Polar Surface Area 74.6 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
Rotatable Bonds 6
Exact Mass 239.098
Monoisotopic Mass 239.098
Heavy Atoms 16
Complexity 215.0

Chemical Identifiers

CAS Number 64276-34-2
SMILES CC1=CC=C(C=C1)SCCNC(C)C(=O)O
InChIKey CCAXVRKRRIHBQA-UHFFFAOYSA-N

Product Overview

N-[2-(4-Methylphenylthio)ethyl]alanine (CAS 64276-34-2), with molecular formula C12H17NO2S and molecular weight 239.098 g/mol. IUPAC: 2-[2-(4-methylphenyl)sulfanylethylamino]propanoic acid.

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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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