2-methylsulfanylethanamine; 2-phenylethanoate

Systemtic Name: 2-methylsulfanylethanamine; 2-phenylethanoate Openeye Name: 2-methylsulfanylethanamine; 2-phenylacetate CAS Name: 2-(methylthio)ethanamine; 2-phenylacetate IUPAC Name: 2-methylsulfanylethanamine; 2-phenylacetate Traditional Name: 2-(methylthio)ethylamine; 2-phenylacetate Formula: C11H16NO2S- MolecularWeight: 226.31524

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Descriptors Computed from Structure

Canonical SMILES:

CSCCN.C1=CC=C(C=C1)CC(=O)[O-]

Isomeric SMILES

CSCCN.C1=CC=C(C=C1)CC(=O)[O-]

InChI

InChI=1S/C8H8O2.C3H9NS/c9-8(10)6-7-4-2-1-3-5-7;1-5-3-2-4/h1-5H,6H2,(H,9,10);2-4H2,1H3/p-1