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Details

Stereochemistry ACHIRAL
Molecular Formula C13H11N3O3S2
Molecular Weight 321.375
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-[(2-Pyridinylmethyl)thio]-1H-benzimidazole-6-sulfonic acid

SMILES

OS(=O)(=O)C1=CC2=C(NC(SCC3=NC=CC=C3)=N2)C=C1

InChI

InChIKey=WMVRGOPCKSLXKV-UHFFFAOYSA-N
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)

HIDE SMILES / InChI

Molecular Formula C13H11N3O3S2
Molecular Weight 321.375
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:52:10 GMT 2023
Edited
by admin
on Sat Dec 16 19:52:10 GMT 2023
Record UNII
NEK8X97RXU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-[(2-Pyridinylmethyl)thio]-1H-benzimidazole-6-sulfonic acid
Systematic Name English
1H-Benzimidazole-6-sulfonic acid, 2-[(2-pyridinylmethyl)thio]-
Systematic Name English
1H-Benzimidazole-5-sulfonic acid, 2-[(2-pyridinylmethyl)thio]-
Systematic Name English
Code System Code Type Description
CAS
28020-71-5
Created by admin on Sat Dec 16 19:52:10 GMT 2023 , Edited by admin on Sat Dec 16 19:52:10 GMT 2023
PRIMARY
ECHA (EC/EINECS)
248-782-4
Created by admin on Sat Dec 16 19:52:10 GMT 2023 , Edited by admin on Sat Dec 16 19:52:10 GMT 2023
PRIMARY
PUBCHEM
119791
Created by admin on Sat Dec 16 19:52:10 GMT 2023 , Edited by admin on Sat Dec 16 19:52:10 GMT 2023
PRIMARY
FDA UNII
NEK8X97RXU
Created by admin on Sat Dec 16 19:52:10 GMT 2023 , Edited by admin on Sat Dec 16 19:52:10 GMT 2023
PRIMARY
EPA CompTox
DTXSID50182300
Created by admin on Sat Dec 16 19:52:10 GMT 2023 , Edited by admin on Sat Dec 16 19:52:10 GMT 2023
PRIMARY