N-methylmethanamine; 2-(phenylmethylsulfanyl)propanoic acid

Systemtic Name: N-methylmethanamine; 2-(phenylmethylsulfanyl)propanoic acid Openeye Name: 2-benzylsulfanylpropanoic acid; N-methylmethanamine CAS Name: N-methylmethanamine; 2-(phenylmethylthio)propanoic acid IUPAC Name: 2-benzylsulfanylpropanoic acid; N-methylmethanamine Traditional Name: 2-(benzylthio)propionic acid; dimethylamine Formula: C12H19NO2S MolecularWeight: 241.34976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC1=CC=CC=C1.CNC

Isomeric SMILES

CC(C(=O)O)SCC1=CC=CC=C1.CNC

InChI

InChI=1S/C10H12O2S.C2H7N/c1-8(10(11)12)13-7-9-5-3-2-4-6-9;1-3-2/h2-6,8H,7H2,1H3,(H,11,12);3H,1-2H3