Sodium hexadecylsulfonate

C16H33NaO3SCAS 15015-81-3328.49 g/mol

Open in Covalent MOL file
SO−OONa+
Sulfonic acid

Properties

Molecular formula
C16H33NaO3S
Molar mass
328.49 g/mol
Exact mass
328.2048 Da
logP
4.97Crippen estimate
Polar surface area
54.4 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
15

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
15015-81-3
SMILES
CCCCCCCCCCCCCCCCS([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

8 names
  • 1-Hexadecanesulfonic acid, sodium salt (1:1)
  • 1-Hexadecanesulfonic acid, sodium salt
  • Sodium cetylsulfonate
  • Sodium n-hexadecanesulfonate
  • Sodium hexadecanesulfonate
  • Sodium 1-hexadecanesulfonate
  • Sodium 1-hexadecanesulfate
  • Sodium palmitylsulfonate

Work with Sodium hexadecylsulfonate

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

Sodium decanesulfonate13419-61-9100 % similar Sodium heptanesulfonate22767-50-6100 % similar Sodium dodecylsulfonate2386-53-0100 % similar Sodium hexanesulfonate2832-45-3100 % similar Sodium 1-nonanesulfonate35192-74-6100 % similar Sodium octanesulfonate5324-84-5100 % similar 1-Tridecanesulfonic acid sodium salt5802-89-1100 % similar Sodium 1-undecanesulfonate5838-34-6100 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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