Sodium octanesulfonate

C₈H₁₇NaO₃SCAS 5324-84-5216.27 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₇NaO₃S
Molar mass: 216.27 g/mol
Exact mass: 216.0796 Da
logP: 1.85Crippen estimate
Polar surface area: 54.4 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 7

Identifiers

CAS number

5324-84-5

SMILES

CCCCCCCCS([O-])(=O)=O.[Na+]

InChIKey

QXFHPLPMTXEJPV-UHFFFAOYSA-N

InChI

InChI=1S/C8H18O3S.Na/c1-2-3-4-5-6-7-8-12(9,10)11;/h2-8H2,1H3,(H,9,10,11);

Weigh it out

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

Names and synonyms

12 names

1-Octanesulfonic acid, sodium salt (1:1)
1-Octanesulfonic acid, sodium salt
Sodium octylsulfonate
Sodium 1-octanesulfonate
Sodium n-octylsulfonate
Bio-terge PAS 8SF
NAS 8RF
Sodium n-octanesulfonate
Bio-terge PAS 8
Witconate NAS-FAL
NAS-FAL
Sodium caprylyl sulfonate

Work with Sodium octanesulfonate

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 hexadecylsulfonate15015-81-3100 % similar Sodium heptanesulfonate22767-50-6100 % similar Sodium dodecylsulfonate2386-53-0100 % similar Sodium hexanesulfonate2832-45-3100 % similar Sodium 1-nonanesulfonate35192-74-6100 % 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