chempirical

Sodium lauroylisethionate

C14H27NaO5SCAS 7381-01-3330.41 g/mol

Open in Covalent MOL file
OOSO−OONa+
EsterSulfonic acid

Properties

Molecular formula
C14H27NaO5S
Molar mass
330.41 g/mol
Exact mass
330.1477 Da
logP
2.96Crippen estimate
Polar surface area
80.7 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
13

Identifiers

CAS number
7381-01-3
SMILES
CCCCCCCCCCCC(=O)OCCS([O-])(=O)=O.[Na+]
InChIKey
ASWMWKKTSMFBCL-UHFFFAOYSA-N
InChI
InChI=1S/C14H28O5S.Na/c1-2-3-4-5-6-7-8-9-10-11-14(15)19-12-13-20(16,17)18;/h2-13H2,1H3,(H,16,17,18);

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

Names and synonyms

9 names
  • Dodecanoic acid, 2-sulfoethyl ester, sodium salt (1:1)
  • Lauric acid, ester with 2-hydroxyethanesulfonic acid, sodium salt
  • Dodecanoic acid, 2-sulfoethyl ester, sodium salt
  • Ethanesulfonic acid, 2-hydroxy-, laurate, sodium salt
  • Sodium 2-sulfoethyl laurate
  • 2-Sulfoethyl laurate sodium salt
  • 2-Sulfoethyl dodecanoate sodium salt
  • Igepon A
  • Lauric acid isethionate sodium salt ester

Work with Sodium lauroylisethionate

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

Butyl laurate106-18-358 % similar Butyl myristate110-36-158 % similar Butyl palmitate111-06-858 % similar Dioctyl adipate123-79-558 % similar Butyl stearate123-95-558 % similar Sodium decanesulfonate13419-61-958 % similar Sodium hexadecylsulfonate15015-81-358 % similar Decyl decanoate1654-86-058 % similar

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

Same formula

Sodium lauryl sulfoacetate1847-58-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook