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Substance Name: Methyl 3-methyl-2-(methylthio)-6-nitrobenzothiazolium sulphate
RN: 2458-05-1
InChIKey: UHXYAEXVNYMRKZ-UHFFFAOYSA-N

Molecular Formula

  • C9-H9-N2-O2-S2.C-H3-O4-S

Molecular Weight

  • 353.4187
 
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Names and Synonyms

Synonym

  • EINECS 219-541-0

Systematic Name

  • Methyl 3-methyl-2-(methylthio)-6-nitrobenzothiazolium sulphate

Registry Numbers

CAS Registry Number

  • 2458-05-1

System Generated Number

  • 0002458051

Molecular Formulas

Molecular Formula

  • C9-H9-N2-O2-S2.C-H3-O4-S

Molecular Formula Fragments

  • C-H3-O4-S
  • C9-H9-N2-O2-S2
  • COMPONENT

Structure Descriptors

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;

InChIKey

UHXYAEXVNYMRKZ-UHFFFAOYSA-N

Smiles

C[n+]1c2ccc(cc2sc1SC)[N+](=O)[O-].COS(=O)(=O)O