4-methylbenzenesulfonic acid; 2-morpholin-4-ylethanethiol

Systemtic Name: 4-methylbenzenesulfonic acid; 2-morpholin-4-ylethanethiol Openeye Name: 4-methylbenzenesulfonic acid; 2-morpholinoethanethiol CAS Name: 4-methylbenzenesulfonic acid; 2-(4-morpholinyl)ethanethiol IUPAC Name: 4-methylbenzenesulfonic acid; 2-morpholin-4-ylethanethiol Traditional Name: 2-morpholinoethanethiol; tosylic acid Formula: C13H21NO4S2 MolecularWeight: 319.44014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1COCCN1CCS

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1COCCN1CCS

InChI

InChI=1S/C7H8O3S.C6H13NOS/c1-6-2-4-7(5-3-6)11(8,9)10;9-6-3-7-1-4-8-5-2-7/h2-5H,1H3,(H,8,9,10);9H,1-6H2