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

CAS Registry Number®

14933-76-7

CAS Name

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

Molecular Formula

C10H12NS.C7H7O3S

Cite this Page

Benzothiazolium, 3-ethyl-2-methyl-, 4-methylbenzenesulfonate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=14933-76-7 (retrieved 2024-12-03) (CAS RN: 14933-76-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    163-165 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C10H12NS.C7H8O3S/c1-3-11-8(2)12-10-7-5-4-6-9(10)11;1-6-2-4-7(5-3-6)11(8,9)10/h4-7H,3H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1

InChIKey

InChIKey=NJSVJXQJFLLFCG-UHFFFAOYSA-M

SMILES

C(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)CC

Other Names for this Substance

  • Benzothiazolium, 3-ethyl-2-methyl-, 4-methylbenzenesulfonate (1:1)
  • Benzothiazolium, 3-ethyl-2-methyl-, p-toluenesulfonate
  • Benzothiazolium, 3-ethyl-2-methyl-, salt with 4-methylbenzenesulfonic acid (1:1)
  • 3-Ethyl-2-methylbenzothiazolium p-toluenesulfonate
  • 2-Methyl-3-ethylbenzothiazolium tosylate

View All

Deleted or Replaced CAS Registry Numbers

113545-01-0

CAS INSIGHTSTM
Hourglass and a clock