chempirical

Sodium hexanesulfonate

C6H13NaO3SCAS 2832-45-3188.22 g/mol

Open in Covalent MOL file
SO−OONa+
Sulfonic acid

Properties

Molecular formula
C6H13NaO3S
Molar mass
188.22 g/mol
Exact mass
188.0483 Da
logP
1.07Crippen estimate
Polar surface area
54.4 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
5

Identifiers

CAS number
2832-45-3
SMILES
CCCCCCS([O-])(=O)=O.[Na+]
InChIKey
PSFLWCHUBVMPRM-UHFFFAOYSA-N
InChI
InChI=1S/C6H14O3S.Na/c1-2-3-4-5-6-10(7,8)9;/h2-6H2,1H3,(H,7,8,9);

Weigh it out

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

Names and synonyms

7 names
  • 1-Hexanesulfonic acid, sodium salt (1:1)
  • 1-Hexanesulfonic acid, sodium salt
  • Sodium hexyl sulfonate
  • Hexylsulfonic acid sodium salt
  • Sodium 1-hexanesulfonate
  • Sodium n-hexylsulfonate
  • Sodium 1-hexylsulfonate

Work with Sodium hexanesulfonate

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 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