chempirical

Sodium heptanesulfonate

C7H15NaO3SCAS 22767-50-6202.24 g/mol

Open in Covalent MOL file
SO−OONa+
Sulfonic acid

Properties

Molecular formula
C7H15NaO3S
Molar mass
202.24 g/mol
Exact mass
202.0640 Da
logP
1.46Crippen estimate
Polar surface area
54.4 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
6

Identifiers

CAS number
22767-50-6
SMILES
CCCCCCCS([O-])(=O)=O.[Na+]
InChIKey
GVBFBKODLPVQOA-UHFFFAOYSA-N
InChI
InChI=1S/C7H16O3S.Na/c1-2-3-4-5-6-7-11(8,9)10;/h2-7H2,1H3,(H,8,9,10);

Weigh it out

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

Names and synonyms

6 names
  • 1-Heptanesulfonic acid, sodium salt (1:1)
  • 1-Heptanesulfonic acid, sodium salt
  • Heptylsulfonic acid sodium salt
  • Sodium n-heptylsulfonate
  • Sodium 1-heptanesulfonate
  • Sodium heptylsulfonate

Work with Sodium heptanesulfonate

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 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