Benzothiazolium, 2,3-dimethyl-, 4-methylbenzenesulfonate (1:1)

CAS Registry Number®

2654-52-6

CAS Name

Benzothiazolium, 2,3-dimethyl-, 4-methylbenzenesulfonate (1:1)

Molecular Formula

C9H10NS.C7H7O3S

Cite this Page

Benzothiazolium, 2,3-dimethyl-, 4-methylbenzenesulfonate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2654-52-6 (retrieved 2024-12-03) (CAS RN: 2654-52-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    186 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H10NS.C7H8O3S/c1-7-10(2)8-5-3-4-6-9(8)11-7;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=GYHJFWZSCIYJKD-UHFFFAOYSA-M

SMILES

C[N+]=1C=2C(SC1C)=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=2C=CC=CC2[N+](=C1C)C

Other Names for this Substance

  • Benzothiazolium, 2,3-dimethyl-, 4-methylbenzenesulfonate (1:1)
  • Benzothiazolium, 2,3-dimethyl-, p-toluenesulfonate
  • 2,3-Dimethylbenzothiazolium p-toluenesulfonate
  • Benzothiazolium, 2,3-dimethyl-, salt with 4-methylbenzenesulfonic acid (1:1)
  • 2,3-Dimethylbenzothiazolium tosylate

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