methylbenzene; propan-2-yl 2-sulfanylethanoate

Systemtic Name: methylbenzene; propan-2-yl 2-sulfanylethanoate Openeye Name: isopropyl 2-sulfanylacetate; toluene CAS Name: 2-mercaptoacetic acid propan-2-yl ester; toluene IUPAC Name: propan-2-yl 2-sulfanylacetate; toluene Traditional Name: 2-mercaptoacetic acid isopropyl ester; toluene Formula: C12H18O2S MolecularWeight: 226.33512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1.CC(C)OC(=O)CS

Isomeric SMILES

CC1=CC=CC=C1.CC(C)OC(=O)CS

InChI

InChI=1S/C7H8.C5H10O2S/c1-7-5-3-2-4-6-7;1-4(2)7-5(6)3-8/h2-6H,1H3;4,8H,3H2,1-2H3