Propylsulfonic acid sodium salt

C3H7NaO3SCAS 14533-63-2146.14 g/mol

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SO−OONa+
Sulfonic acid

Properties

Molecular formula
C3H7NaO3S
Molar mass
146.14 g/mol
Exact mass
146.0014 Da
logP
-0.10Crippen estimate
Polar surface area
54.4 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

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
14533-63-2
SMILES
CCCS([O-])(=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

4 names
  • 1-Propanesulfonic acid, sodium salt (1:1)
  • 1-Propanesulfonic acid, sodium salt
  • Sodium 1-propanesulfonate
  • Sodium n-propylsulfonate

Work with Propylsulfonic acid sodium salt

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

1-Propanesulfonic acid5284-66-2Free acid

Similar compounds

Sodium 1-butanesulfonate2386-54-178 % similar Sodium pentanesulfonate22767-49-375 % similar Sodium decanesulfonate13419-61-972 % similar Sodium hexadecylsulfonate15015-81-372 % similar Sodium heptanesulfonate22767-50-672 % similar Sodium dodecylsulfonate2386-53-072 % similar Sodium hexanesulfonate2832-45-372 % similar Sodium 1-nonanesulfonate35192-74-672 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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