4-methylbenzenesulfonic acid; methyl N,N'-di(propan-2-yl)carbamimidothioate

Systemtic Name: 4-methylbenzenesulfonic acid; methyl N,N'-di(propan-2-yl)carbamimidothioate Openeye Name: 1,3-diisopropyl-2-methyl-isothiourea; 4-methylbenzenesulfonic acid CAS Name: N,N'-di(propan-2-yl)carbamimidothioic acid methyl ester; 4-methylbenzenesulfonic acid IUPAC Name: 4-methylbenzenesulfonic acid; methyl N,N'-di(propan-2-yl)carbamimidothioate Traditional Name: 1,3-diisopropyl-2-methyl-isothiourea; tosylic acid Formula: C15H26N2O3S2 MolecularWeight: 346.50854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)NC(=NC(C)C)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)NC(=NC(C)C)SC

InChI

InChI=1S/C8H18N2S.C7H8O3S/c1-6(2)9-8(11-5)10-7(3)4;1-6-2-4-7(5-3-6)11(8,9)10/h6-7H,1-5H3,(H,9,10);2-5H,1H3,(H,8,9,10)