Benzothiazolium, 2-(methylthio)-3-(3-sulfopropyl)-, inner salt

CAS Registry Number®

63149-05-3
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CAS Name

Benzothiazolium, 2-(methylthio)-3-(3-sulfopropyl)-, inner salt

Molecular Formula

C11H13NO3S3

Cite this Page

Benzothiazolium, 2-(methylthio)-3-(3-sulfopropyl)-, inner salt.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=63149-05-3 (retrieved 2024-08-02) (CAS RN: 63149-05-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C11H13NO3S3/c1-16-11-12(7-4-8-18(13,14)15)9-5-2-3-6-10(9)17-11/h2-3,5-6H,4,7-8H2,1H3

InChIKey

InChIKey=RREMLVIQMMQLLV-UHFFFAOYSA-N

SMILES

C(CCS(=O)(=O)[O-])[N+]=1C=2C(SC1SC)=CC=CC2

Canonical SMILES

O=S(=O)([O-])CCC[N+]1=C(SC=2C=CC=CC21)SC

Other Names for this Substance

  • Benzothiazolium, 2-(methylthio)-3-(3-sulfopropyl)-, inner salt
  • Benzothiazolium, 2-(methylthio)-3-(3-sulfopropyl)-, hydroxide, inner salt