Benzothiazolium, 3-methyl-2-(methylthio)-, 4-methylbenzenesulfonate (1:1)

CAS Registry Number®

55514-14-2

CAS Name

Benzothiazolium, 3-methyl-2-(methylthio)-, 4-methylbenzenesulfonate (1:1)

Molecular Formula

C9H10NS2.C7H7O3S

Molecular Mass

367.51

Cite this Page

Benzothiazolium, 3-methyl-2-(methylthio)-, 4-methylbenzenesulfonate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=55514-14-2 (retrieved 2025-04-03) (CAS RN: 55514-14-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C9H10NS2.C7H8O3S/c1-10-7-5-3-4-6-8(7)12-9(10)11-2;1-6-2-4-7(5-3-6)11(8,9)10/h3-6H,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1

InChIKey

InChIKey=SGABZOJLSUJGFH-UHFFFAOYSA-M

SMILES

C[N+]=1C=2C(SC1SC)=CC=CC2.S(=O)(=O)([O-])C1=CC=C(C)C=C1

Canonical SMILES

O=S(=O)([O-])C1=CC=C(C=C1)C.S1C(SC)=[N+](C=2C=CC=CC12)C

Other Names for this Substance

  • Benzothiazolium, 3-methyl-2-(methylthio)-, 4-methylbenzenesulfonate (1:1)
  • Benzothiazolium, 3-methyl-2-(methylthio)-, salt with 4-methylbenzenesulfonic acid (1:1)
  • 3-Methyl-2-(methylthio)benzothiazolium tosylate
  • N-Methyl-2-methylthiobenzothiazolium p-toluenesulfonate
  • 3-Methyl-2-(methylthio)benzothiazolium p-toluenesulfonate

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