2-[(2-Pyridinylmethyl)thio]-1H-benzimidazole-6-sulfonic acid

CAS Registry Number®

28020-71-5

CAS Name

2-[(2-Pyridinylmethyl)thio]-1H-benzimidazole-6-sulfonic acid

Molecular Formula

C13H11N3O3S2

Molecular Mass

321.37

Cite this Page

2-[(2-Pyridinylmethyl)thio]-1H-benzimidazole-6-sulfonic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=28020-71-5 (retrieved 2024-10-06) (CAS RN: 28020-71-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H11N3O3S2/c17-21(18,19)10-4-5-11-12(7-10)16-13(15-11)20-8-9-3-1-2-6-14-9/h1-7H,8H2,(H,15,16)(H,17,18,19)

InChIKey

InChIKey=WMVRGOPCKSLXKV-UHFFFAOYSA-N

SMILES

S(CC1=CC=CC=N1)C=2NC=3C(N2)=CC=C(S(=O)(=O)O)C3

Canonical SMILES

O=S(=O)(O)C=1C=CC=2N=C(SCC3=NC=CC=C3)NC2C1

Other Names for this Substance

  • 1H-Benzimidazole-6-sulfonic acid, 2-[(2-pyridinylmethyl)thio]-
  • 5-Benzimidazolesulfonic acid, 2-[(2-pyridylmethyl)thio]-
  • 1H-Benzimidazole-5-sulfonic acid, 2-[(2-pyridinylmethyl)thio]-
  • 2-[(2-Pyridinylmethyl)thio]-1H-benzimidazole-6-sulfonic acid
  • 2-(2-Pyridylmethylthio)-5-sulfobenzimidazole

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