chempirical

Sodium cetyl sulfate

C16H33NaO4SCAS 1120-01-0344.49 g/mol

Open in Covalent MOL file
OSO−OONa+

Properties

Molecular formula
C16H33NaO4S
Molar mass
344.49 g/mol
Exact mass
344.1997 Da
logP
4.91Crippen estimate
Polar surface area
63.6 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
16

Identifiers

CAS number
1120-01-0
SMILES
CCCCCCCCCCCCCCCCOS([O-])(=O)=O.[Na+]
InChIKey
HMWHAHJOIHEFOG-UHFFFAOYSA-N
InChI
InChI=1S/C16H34O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;/h2-16H2,1H3,(H,17,18,19);

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Names and synonyms

19 names · show all
  • 1-Hexadecanol, 1-(hydrogen sulfate), sodium salt (1:1)
  • Hexadecyl sodium sulfate
  • 1-Hexadecanol, hydrogen sulfate, sodium salt
  • Avitex SF
  • Cetyl sulfate sodium salt
  • SHS
  • Sodium hexadecyl sulfate
  • Sodium n-hexadecyl sulfate
  • Sodium palmityl sulfate
  • Tergitol anionic 7
  • Conco sulfate C
  • Avitex C
  • Sodium monohexadecyl sulfate
  • Cetyl sodium sulfate
  • Sipex EC 111
  • Hexadecyl sulfate sodium salt
  • Nikkol SCS
  • Sodium 1-hexadecanol sulfate
  • Lanette E

Work with Sodium cetyl sulfate

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 tetradecyl sulfate1191-50-0100 % similar Sodium octyl sulfate142-31-4100 % similar Sodium decyl sulfate142-87-0100 % similar Sodium dodecyl sulfate151-21-3100 % similar Lithium dodecyl sulfate2044-56-680 % similar Sodium 2-ethylhexyl sulfate126-92-155 % similar Sodium decanesulfonate13419-61-950 % similar Sodium hexadecylsulfonate15015-81-350 % similar

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

Elsewhere

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