1H-Benzimidazole-5-sulfonic acid, 2,3-dihydro-2-thioxo-, sodium salt, hydrate (1:1:2)

C7H9N2NaO5S2CAS 207511-11-3288.27 g/mol

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O−SOONSHNHH2OH2ONa+
Sulfonic acidThiol

Properties

Molecular formula
C7H9N2NaO5S2
Molar mass
288.27 g/mol
Exact mass
287.9851 Da
logP
-0.93Crippen estimate
Polar surface area
146.1 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
207511-11-3
SMILES
[O-]S(=O)(=O)c1ccc2nc(S)[nH]c2c1.O.O.[Na+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

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Names and synonyms

1 names
  • 1H-Benzimidazole-5-sulfonic acid, 2,3-dihydro-2-thioxo-, monosodium salt, dihydrate

Work with 1H-Benzimidazole-5-sulfonic acid, 2,3-dihydro-2-thioxo-, sodium salt, hydrate (1:1:2)

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Mercapto-5-nitrobenzimidazole6325-91-345 % similar 5-Chloro-2-mercaptobenzimidazole25369-78-244 % similar 2-Mercapto-5-methylbenzimidazole27231-36-344 % similar 5-Amino-2-mercaptobenzimidazole2818-66-844 % similar Disodium 2,6-naphthalenedisulfonate1655-45-443 % similar Sodium P-phenolsulfonate dihydrate10580-19-542 % similar Disodium 2,7-naphthalenedisulfonate1655-35-242 % similar 2-Mercapto-5-methoxybenzimidazole37052-78-142 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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