benzoic acid; 2-methylsulfanylethanamine

Systemtic Name: benzoic acid; 2-methylsulfanylethanamine Openeye Name: benzoic acid; 2-methylsulfanylethanamine CAS Name: benzoic acid; 2-(methylthio)ethanamine IUPAC Name: benzoic acid; 2-methylsulfanylethanamine Traditional Name: benzoic acid; 2-(methylthio)ethylamine Formula: C10H15NO2S MolecularWeight: 213.2966

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Descriptors Computed from Structure

Canonical SMILES:

CSCCN.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CSCCN.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C7H6O2.C3H9NS/c8-7(9)6-4-2-1-3-5-6;1-5-3-2-4/h1-5H,(H,8,9);2-4H2,1H3