Methyl 3-methyl-2-(methylthio)-6-nitrobenzothiazolium sulphate
[CAS# 2458-05-1]

Identification

• Name: Methyl 3-methyl-2-(methylthio)-6-nitrobenzothiazolium sulphate
• Synonyms: 3-Methyl-2-(Methylthio)-6-Nitro-1,3-Benzothiazol-3-Ium; Methyl Sulfate; Nsc124198
• Molecular Formula: C₁₀H₁₂N₂O₆S₃
• Molecular Weight: 352.39
• CAS Registry Number: 2458-05-1
• EINECS: 219-541-0
• SMILES: C1=C([N+]([O-])=O)C=CC2=C1SC(=[N+]2C)SC.CO[S]([O-])(=O)=O
• InChI: 1S/C9H9N2O2S2.CH4O4S/c1-10-7-4-3-6(11(12)13)5-8(7)15-9(10)14-2;1-5-6(2,3)4/h3-5H,1-2H3;1H3,(H,2,3,4)/q+1;/p-1
• InChIKey: UHXYAEXVNYMRKZ-UHFFFAOYSA-M