2-methylsulfanyl-1H-benzimidazol-3-ium; methyl sulfate

Systemtic Name: 2-methylsulfanyl-1H-benzimidazol-3-ium; methyl sulfate Openeye Name: 2-methylsulfanyl-1H-benzimidazol-3-ium; methyl sulfate CAS Name: methyl sulfate; 2-(methylthio)-1H-benzimidazol-3-ium IUPAC Name: 2-methylsulfanyl-1H-benzimidazol-3-ium; methyl sulfate Traditional Name: methyl sulfate; 2-(methylthio)-1H-benzimidazol-3-ium Formula: C9H12N2O4S2 MolecularWeight: 276.33258

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Descriptors Computed from Structure

Canonical SMILES:

COS(=O)(=O)[O-].CSC1=[NH+]C2=CC=CC=C2N1

Isomeric SMILES

COS(=O)(=O)[O-].CSC1=[NH+]C2=CC=CC=C2N1

InChI

InChI=1S/C8H8N2S.CH4O4S/c1-11-8-9-6-4-2-3-5-7(6)10-8;1-5-6(2,3)4/h2-5H,1H3,(H,9,10);1H3,(H,2,3,4)