Sodium pentanesulfonate

C5H11NaO3SCAS 22767-49-3174.19 g/mol

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SO−OONa+
Sulfonic acid

Properties

Molecular formula
C5H11NaO3S
Molar mass
174.19 g/mol
Exact mass
174.0327 Da
logP
0.68Crippen estimate
Polar surface area
54.4 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
4

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
22767-49-3
SMILES
CCCCCS([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.

Weigh it out

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Names and synonyms

6 names
  • 1-Pentanesulfonic acid, sodium salt (1:1)
  • 1-Pentanesulfonic acid, sodium salt
  • Pentylsulfonic acid sodium salt
  • Sodium pentane-1-sulfonate
  • Sodium pentylsulfonate
  • Sodium n-pentylsulfonate

Work with Sodium pentanesulfonate

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.

Sodium 1-pentanesulfonate hydrate (1:1:1)207605-40-1Hydrate

Similar compounds

Sodium decanesulfonate13419-61-996 % similar Sodium hexadecylsulfonate15015-81-396 % similar Sodium heptanesulfonate22767-50-696 % similar Sodium dodecylsulfonate2386-53-096 % similar Sodium hexanesulfonate2832-45-396 % similar Sodium 1-nonanesulfonate35192-74-696 % similar Sodium octanesulfonate5324-84-596 % similar 1-Tridecanesulfonic acid sodium salt5802-89-196 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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