chempirical

Sodium pentanesulfonate

C5H11NaO3SCAS 22767-49-3174.19 g/mol

Open in Covalent MOL file
SO−OONa+
Sulfonic acid

Properties

Molecular formula
C5H11NaO3S
Molar mass
174.19 g/mol
Exact mass
174.0327 Da
logP
0.68Crippen estimate
Polar surface area
54.4 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
4

Identifiers

CAS number
22767-49-3
SMILES
CCCCCS([O-])(=O)=O.[Na+]
InChIKey
JKCNXKXYMRTCQZ-UHFFFAOYSA-N
InChI
InChI=1S/C5H12O3S.Na/c1-2-3-4-5-9(6,7)8;/h2-5H2,1H3,(H,6,7,8);

Weigh it out

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

Names and synonyms

6 names
  • 1-Pentanesulfonic acid, sodium salt (1:1)
  • 1-Pentanesulfonic acid, sodium salt
  • Pentylsulfonic acid sodium salt
  • Sodium pentane-1-sulfonate
  • Sodium pentylsulfonate
  • Sodium n-pentylsulfonate

Work with Sodium pentanesulfonate

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 decanesulfonate13419-61-996 % similar Sodium hexadecylsulfonate15015-81-396 % similar Sodium heptanesulfonate22767-50-696 % similar Sodium dodecylsulfonate2386-53-096 % similar Sodium hexanesulfonate2832-45-396 % similar Sodium 1-nonanesulfonate35192-74-696 % similar Sodium octanesulfonate5324-84-596 % similar Sodium myristylsulfonate6994-45-296 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook