[2,4-dimethyl-3,6-bis(oxidanyl)phenyl] carbamimidothioate

Systemtic Name: [2,4-dimethyl-3,6-bis(oxidanyl)phenyl] carbamimidothioate Openeye Name: 2-(3,6-dihydroxy-2,4-dimethyl-phenyl)isothiourea CAS Name: carbamimidothioic acid (3,6-dihydroxy-2,4-dimethylphenyl) ester IUPAC Name: (3,6-dihydroxy-2,4-dimethylphenyl) carbamimidothioate Traditional Name: 2-(3,6-dihydroxy-2,4-dimethyl-phenyl)isothiourea Formula: C9H12N2O2S MolecularWeight: 212.26878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1O)C)SC(=N)N)O

Isomeric SMILES

CC1=CC(=C(C(=C1O)C)SC(=N)N)O

InChI

InChI=1S/C9H12N2O2S/c1-4-3-6(12)8(14-9(10)11)5(2)7(4)13/h3,12-13H,1-2H3,(H3,10,11)