2-methylprop-2-ene-1-sulfonic acid; (phenylmethyl) carbamimidothioate

Systemtic Name: 2-methylprop-2-ene-1-sulfonic acid; (phenylmethyl) carbamimidothioate Openeye Name: 2-benzylisothiourea; 2-methylprop-2-ene-1-sulfonic acid CAS Name: carbamimidothioic acid (phenylmethyl) ester; 2-methyl-2-propene-1-sulfonic acid IUPAC Name: benzyl carbamimidothioate; 2-methylprop-2-ene-1-sulfonic acid Traditional Name: 2-benzylisothiourea; 2-methylprop-2-ene-1-sulfonic acid Formula: C12H18N2O3S2 MolecularWeight: 302.41292

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CS(=O)(=O)O.C1=CC=C(C=C1)CSC(=N)N

Isomeric SMILES

CC(=C)CS(=O)(=O)O.C1=CC=C(C=C1)CSC(=N)N

InChI

InChI=1S/C8H10N2S.C4H8O3S/c9-8(10)11-6-7-4-2-1-3-5-7;1-4(2)3-8(5,6)7/h1-5H,6H2,(H3,9,10);1,3H2,2H3,(H,5,6,7)