4-methylbenzenesulfonic acid; 4-oxidanylidenepentyl carbamimidothioate

Systemtic Name: 4-methylbenzenesulfonic acid; 4-oxidanylidenepentyl carbamimidothioate Openeye Name: 4-methylbenzenesulfonic acid; 2-(4-oxopentyl)isothiourea CAS Name: carbamimidothioic acid 4-oxopentyl ester; 4-methylbenzenesulfonic acid IUPAC Name: 4-methylbenzenesulfonic acid; 4-oxopentyl carbamimidothioate Traditional Name: 2-(4-ketopentyl)isothiourea; tosylic acid Formula: C13H20N2O4S2 MolecularWeight: 332.4389

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC(=O)CCCSC(=N)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(=O)CCCSC(=N)N

InChI

InChI=1S/C7H8O3S.C6H12N2OS/c1-6-2-4-7(5-3-6)11(8,9)10;1-5(9)3-2-4-10-6(7)8/h2-5H,1H3,(H,8,9,10);2-4H2,1H3,(H3,7,8)