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

CAS Registry Number®

6112-39-6

CAS Name

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

Molecular Formula

C8H8NS.C7H7O3S

Cite this Page

Benzothiazolium, 3-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=6112-39-6 (retrieved 2024-12-20) (CAS RN: 6112-39-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C8H8NS.C7H8O3S/c1-9-6-10-8-5-3-2-4-7(8)9;1-6-2-4-7(5-3-6)11(8,9)10/h2-6H,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1

InChIKey

InChIKey=VSLLSCGWLKZXJL-UHFFFAOYSA-M

SMILES

S(=O)(=O)([O-])C1=CC=C(C)C=C1.C[N+]=1C=2C(=CC=CC2)SC1

Canonical SMILES

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

Other Names for this Substance

  • Benzothiazolium, 3-methyl-, 4-methylbenzenesulfonate (1:1)
  • Benzothiazolium, 3-methyl-, p-toluenesulfonate
  • 3-Methylbenzothiazolium p-toluenesulfonate
  • Benzothiazolium, 3-methyl-, salt with 4-methylbenzenesulfonic acid (1:1)

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