methyl hydrogen sulfate; 2-methylsulfanyl-1H-benzimidazole

Systemtic Name: methyl hydrogen sulfate; 2-methylsulfanyl-1H-benzimidazole Openeye Name: methyl hydrogen sulfate; 2-methylsulfanyl-1H-benzimidazole CAS Name: 2-(methylthio)-1H-benzimidazole; sulfuric acid methyl ester IUPAC Name: methyl hydrogen sulfate; 2-methylsulfanyl-1H-benzimidazole Traditional Name: 2-(methylthio)-1H-benzimidazole; sulfuric acid methyl ester Formula: C9H12N2O4S2 MolecularWeight: 276.33258

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Descriptors Computed from Structure

Canonical SMILES:

COS(=O)(=O)O.CSC1=NC2=CC=CC=C2N1

Isomeric SMILES

COS(=O)(=O)O.CSC1=NC2=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)