4-methylbenzenesulfonic acid; [(E)-2-propylsulfonylethenyl] carbamimidothioate

Systemtic Name: 4-methylbenzenesulfonic acid; [(E)-2-propylsulfonylethenyl] carbamimidothioate Openeye Name: 4-methylbenzenesulfonic acid; 2-[(E)-2-propylsulfonylvinyl]isothiourea CAS Name: carbamimidothioic acid [(E)-2-propylsulfonylethenyl] ester; 4-methylbenzenesulfonic acid IUPAC Name: 4-methylbenzenesulfonic acid; [(E)-2-propylsulfonylethenyl] carbamimidothioate Traditional Name: 2-[(E)-2-propylsulfonylvinyl]isothiourea; tosylic acid Formula: C13H20N2O5S3 MolecularWeight: 380.5033

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C=CSC(=N)N.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCS(=O)(=O)/C=C/SC(=N)N.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C7H8O3S.C6H12N2O2S2/c1-6-2-4-7(5-3-6)11(8,9)10;1-2-4-12(9,10)5-3-11-6(7)8/h2-5H,1H3,(H,8,9,10);3,5H,2,4H2,1H3,(H3,7,8)/b;5-3+