methyl hydrogen sulfate; 3-methyl-2-methylsulfanyl-2H-1,3-benzothiazole

Systemtic Name: methyl hydrogen sulfate; 3-methyl-2-methylsulfanyl-2H-1,3-benzothiazole Openeye Name: methyl hydrogen sulfate; 3-methyl-2-methylsulfanyl-2H-1,3-benzothiazole CAS Name: 3-methyl-2-(methylthio)-2H-1,3-benzothiazole; sulfuric acid methyl ester IUPAC Name: methyl hydrogen sulfate; 3-methyl-2-methylsulfanyl-2H-1,3-benzothiazole Traditional Name: 3-methyl-2-(methylthio)-2H-1,3-benzothiazole; sulfuric acid methyl ester Formula: C10H15NO4S3 MolecularWeight: 309.4254

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(SC2=CC=CC=C21)SC.COS(=O)(=O)O

Isomeric SMILES

CN1C(SC2=CC=CC=C21)SC.COS(=O)(=O)O

InChI

InChI=1S/C9H11NS2.CH4O4S/c1-10-7-5-3-4-6-8(7)12-9(10)11-2;1-5-6(2,3)4/h3-6,9H,1-2H3;1H3,(H,2,3,4)