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Details

Stereochemistry ACHIRAL
Molecular Formula C7H5N2O3S2.Na
Molecular Weight 252.246
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Sodium 2-thioxo-2,3-dihydro-1H-benzimidazole-5-sulfonate

SMILES

[Na+].[O-]S(=O)(=O)C1=CC=C2NC(=S)NC2=C1

InChI

InChIKey=AMZPPWFHMNMIEI-UHFFFAOYSA-M
InChI=1S/C7H6N2O3S2.Na/c10-14(11,12)4-1-2-5-6(3-4)9-7(13)8-5;/h1-3H,(H2,8,9,13)(H,10,11,12);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C7H5N2O3S2
Molecular Weight 229.256
Charge -1
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 12:24:08 GMT 2023
Edited
by admin
on Sat Dec 16 12:24:08 GMT 2023
Record UNII
QQ848SE7FS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Sodium 2-thioxo-2,3-dihydro-1H-benzimidazole-5-sulfonate
Systematic Name English
1H-Benzimidazole-5-sulfonic acid, 2,3-dihydro-2-thioxo-, monosodium salt
Systematic Name English
1H-Benzimidazole-5-sulfonic acid, 2,3-dihydro-2-thioxo-, sodium salt
Systematic Name English
1H-Benzimidazole-5-sulfonic acid, 2,3-dihydro-2-thioxo-, sodium salt (1:1)
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID3068889
Created by admin on Sat Dec 16 12:24:08 GMT 2023 , Edited by admin on Sat Dec 16 12:24:08 GMT 2023
PRIMARY
FDA UNII
QQ848SE7FS
Created by admin on Sat Dec 16 12:24:08 GMT 2023 , Edited by admin on Sat Dec 16 12:24:08 GMT 2023
PRIMARY
ECHA (EC/EINECS)
258-862-0
Created by admin on Sat Dec 16 12:24:08 GMT 2023 , Edited by admin on Sat Dec 16 12:24:08 GMT 2023
PRIMARY
CAS
53918-03-9
Created by admin on Sat Dec 16 12:24:08 GMT 2023 , Edited by admin on Sat Dec 16 12:24:08 GMT 2023
PRIMARY
PUBCHEM
3745949
Created by admin on Sat Dec 16 12:24:08 GMT 2023 , Edited by admin on Sat Dec 16 12:24:08 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE