methyl N-azanyl-N-methyl-carbamimidothioate; 4-methylbenzenesulfonic acid

Systemtic Name: methyl N-azanyl-N-methyl-carbamimidothioate; 4-methylbenzenesulfonic acid Openeye Name: 1-amino-1,2-dimethyl-isothiourea; 4-methylbenzenesulfonic acid CAS Name: N-amino-N-methylcarbamimidothioic acid methyl ester; 4-methylbenzenesulfonic acid IUPAC Name: methyl N-amino-N-methylcarbamimidothioate; 4-methylbenzenesulfonic acid Traditional Name: 1-amino-1,2-dimethyl-isothiourea; tosylic acid Formula: C10H17N3O3S2 MolecularWeight: 291.39028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.C3H9N3S/c1-6-2-4-7(5-3-6)11(8,9)10;1-6(5)3(4)7-2/h2-5H,1H3,(H,8,9,10);4H,5H2,1-2H3