4-methylbenzenesulfonic acid; propane-1-thiol

Systemtic Name: 4-methylbenzenesulfonic acid; propane-1-thiol Openeye Name: 4-methylbenzenesulfonic acid; propane-1-thiol CAS Name: 4-methylbenzenesulfonic acid; 1-propanethiol IUPAC Name: 4-methylbenzenesulfonic acid; propane-1-thiol Traditional Name: propane-1-thiol; tosylic acid Formula: C10H16O3S2 MolecularWeight: 248.36224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.C3H8S/c1-6-2-4-7(5-3-6)11(8,9)10;1-2-3-4/h2-5H,1H3,(H,8,9,10);4H,2-3H2,1H3