(2-methylsulfonylphenyl)methyl carbamimidothioate hydrobromide

Systemtic Name: (2-methylsulfonylphenyl)methyl carbamimidothioate hydrobromide Openeye Name: 2-[(2-methylsulfonylphenyl)methyl]isothiourea hydrobromide CAS Name: carbamimidothioic acid (2-methylsulfonylphenyl)methyl ester hydrobromide IUPAC Name: (2-methylsulfonylphenyl)methyl carbamimidothioate hydrobromide Traditional Name: 2-(2-mesylbenzyl)isothiourea hydrobromide Formula: C9H13BrN2O2S2 MolecularWeight: 325.24572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1CSC(=N)N.Br

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1CSC(=N)N.Br

InChI

InChI=1S/C9H12N2O2S2.BrH/c1-15(12,13)8-5-3-2-4-7(8)6-14-9(10)11;/h2-5H,6H2,1H3,(H3,10,11);1H