chempirical

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

Identifiers

CAS number
15015-81-3
SMILES
CCCCCCCCCCCCCCCCS([O-])(=O)=O.[Na+]
InChIKey
ZNHNOZBMSGSAGE-UHFFFAOYSA-N
InChI
InChI=1S/C16H34O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17,18)19;/h2-16H2,1H3,(H,17,18,19);

Weigh it out

Type any one amount. The others follow from the molar mass.

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 Sodium myristylsulfonate6994-45-2100 % similar Sodium pentanesulfonate22767-49-396 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook