3-methyl-1,3-benzothiazol-2-imine; methyl hydrogen sulfate

Systemtic Name: 3-methyl-1,3-benzothiazol-2-imine; methyl hydrogen sulfate Openeye Name: 3-methyl-1,3-benzothiazol-2-imine; methyl hydrogen sulfate CAS Name: 3-methyl-1,3-benzothiazol-2-imine; sulfuric acid methyl ester IUPAC Name: 3-methyl-1,3-benzothiazol-2-imine; methyl hydrogen sulfate Traditional Name: (3-methyl-1,3-benzothiazol-2-ylidene)amine; sulfuric acid methyl ester Formula: C9H12N2O4S2 MolecularWeight: 276.33258

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC1=N.COS(=O)(=O)O

Isomeric SMILES

CN1C2=CC=CC=C2SC1=N.COS(=O)(=O)O

InChI

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