Betaine 2-methyl-3-(3-sulfopropyl)benzothiazolium

CAS Registry Number®

56405-37-9
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CAS Name

Betaine 2-methyl-3-(3-sulfopropyl)benzothiazolium

Molecular Formula

C11H13NO3S2

Cite this Page

Betaine 2-methyl-3-(3-sulfopropyl)benzothiazolium.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=56405-37-9 (retrieved 2024-06-27) (CAS RN: 56405-37-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    266-268 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C11H13NO3S2/c1-9-12(7-4-8-17(13,14)15)10-5-2-3-6-11(10)16-9/h2-3,5-6H,4,7-8H2,1H3

InChIKey

InChIKey=XSEOLEIVLCYZQR-UHFFFAOYSA-N

SMILES

C(CCS(=O)(=O)[O-])[N+]=1C=2C(SC1C)=CC=CC2

Canonical SMILES

O=S(=O)([O-])CCC[N+]=1C=2C=CC=CC2SC1C

Other Names for this Substance

  • Benzothiazolium, 2-methyl-3-(3-sulfopropyl)-, inner salt
  • Benzothiazolium, 2-methyl-3-(3-sulfopropyl)-, hydroxide, inner salt
  • Betaine 2-methyl-3-(3-sulfopropyl)benzothiazolium
  • 3-(3-Sulfopropyl)-2-methylbenzothiazolium, inner salt
  • 2-Methyl-3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium