methylbenzene; 2-sulfanylethanal

Systemtic Name: methylbenzene; 2-sulfanylethanal Openeye Name: 2-sulfanylacetaldehyde; toluene CAS Name: 2-mercaptoacetaldehyde; toluene IUPAC Name: 2-sulfanylacetaldehyde; toluene Traditional Name: 2-mercaptoacetaldehyde; toluene Formula: C9H12OS MolecularWeight: 168.25598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1.C(C=O)S

Isomeric SMILES

CC1=CC=CC=C1.C(C=O)S

InChI

InChI=1S/C7H8.C2H4OS/c1-7-5-3-2-4-6-7;3-1-2-4/h2-6H,1H3;1,4H,2H2