4-methylbenzenesulfonic acid; S-[2-[(2-methyl-2-sulfanyl-propyl)amino]ethyl] ethanethioate

Systemtic Name: 4-methylbenzenesulfonic acid; S-[2-[(2-methyl-2-sulfanyl-propyl)amino]ethyl] ethanethioate Openeye Name: 4-methylbenzenesulfonic acid; S-[2-[(2-methyl-2-sulfanyl-propyl)amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[(2-mercapto-2-methylpropyl)amino]ethyl] ester; 4-methylbenzenesulfonic acid IUPAC Name: 4-methylbenzenesulfonic acid; S-[2-[(2-methyl-2-sulfanylpropyl)amino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[(2-mercapto-2-methyl-propyl)amino]ethyl] ester; tosylic acid Formula: C15H25NO4S3 MolecularWeight: 379.5583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H17NOS2.C7H8O3S/c1-7(10)12-5-4-9-6-8(2,3)11;1-6-2-4-7(5-3-6)11(8,9)10/h9,11H,4-6H2,1-3H3;2-5H,1H3,(H,8,9,10)