2-(2-hydroxyethylsulfonyl)ethyl carbamimidothioate; 4-methylbenzenesulfonic acid

Systemtic Name: 2-(2-hydroxyethylsulfonyl)ethyl carbamimidothioate; 4-methylbenzenesulfonic acid Openeye Name: 2-[2-(2-hydroxyethylsulfonyl)ethyl]isothiourea; 4-methylbenzenesulfonic acid CAS Name: carbamimidothioic acid 2-(2-hydroxyethylsulfonyl)ethyl ester; 4-methylbenzenesulfonic acid IUPAC Name: 2-(2-hydroxyethylsulfonyl)ethyl carbamimidothioate; 4-methylbenzenesulfonic acid Traditional Name: 2-[2-(2-hydroxyethylsulfonyl)ethyl]isothiourea; tosylic acid Formula: C12H20N2O6S3 MolecularWeight: 384.492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C(CS(=O)(=O)CCSC(=N)N)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C(CS(=O)(=O)CCSC(=N)N)O

InChI

InChI=1S/C7H8O3S.C5H12N2O3S2/c1-6-2-4-7(5-3-6)11(8,9)10;6-5(7)11-2-4-12(9,10)3-1-8/h2-5H,1H3,(H,8,9,10);8H,1-4H2,(H3,6,7)