(4-chlorophenyl)methanamine; 4-methylsulfanylbutanoic acid

Systemtic Name: (4-chlorophenyl)methanamine; 4-methylsulfanylbutanoic acid Openeye Name: (4-chlorophenyl)methanamine; 4-methylsulfanylbutanoic acid CAS Name: (4-chlorophenyl)methanamine; 4-(methylthio)butanoic acid IUPAC Name: (4-chlorophenyl)methanamine; 4-methylsulfanylbutanoic acid Traditional Name: (4-chlorobenzyl)amine; 4-(methylthio)butyric acid Formula: C12H18ClNO2S MolecularWeight: 275.79482

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCC(=O)O.C1=CC(=CC=C1CN)Cl

Isomeric SMILES

CSCCCC(=O)O.C1=CC(=CC=C1CN)Cl

InChI

InChI=1S/C7H8ClN.C5H10O2S/c8-7-3-1-6(5-9)2-4-7;1-8-4-2-3-5(6)7/h1-4H,5,9H2;2-4H2,1H3,(H,6,7)