4-methylbenzenesulfonic acid; S-[2-(2-sulfanylpropylamino)ethyl] ethanethioate

Systemtic Name: 4-methylbenzenesulfonic acid; S-[2-(2-sulfanylpropylamino)ethyl] ethanethioate Openeye Name: 4-methylbenzenesulfonic acid; S-[2-(2-sulfanylpropylamino)ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-(2-mercaptopropylamino)ethyl] ester; 4-methylbenzenesulfonic acid IUPAC Name: 4-methylbenzenesulfonic acid; S-[2-(2-sulfanylpropylamino)ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-(2-mercaptopropylamino)ethyl] ester; tosylic acid Formula: C14H23NO4S3 MolecularWeight: 365.53172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H15NOS2.C7H8O3S/c1-6(10)5-8-3-4-11-7(2)9;1-6-2-4-7(5-3-6)11(8,9)10/h6,8,10H,3-5H2,1-2H3;2-5H,1H3,(H,8,9,10)