chempirical

Propylsulfonic acid sodium salt

C3H7NaO3SCAS 14533-63-2146.14 g/mol

Open in Covalent MOL file
SO−OONa+
Sulfonic acid

Properties

Molecular formula
C3H7NaO3S
Molar mass
146.14 g/mol
Exact mass
146.0014 Da
logP
-0.10Crippen estimate
Polar surface area
54.4 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
14533-63-2
SMILES
CCCS([O-])(=O)=O.[Na+]
InChIKey
MQVMJSWYKLYFIG-UHFFFAOYSA-N
InChI
InChI=1S/C3H8O3S.Na/c1-2-3-7(4,5)6;/h2-3H2,1H3,(H,4,5,6);

Weigh it out

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

Names and synonyms

4 names
  • 1-Propanesulfonic acid, sodium salt (1:1)
  • 1-Propanesulfonic acid, sodium salt
  • Sodium 1-propanesulfonate
  • Sodium n-propylsulfonate

Work with Propylsulfonic acid sodium salt

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 1-butanesulfonate2386-54-178 % similar Sodium pentanesulfonate22767-49-375 % similar Sodium decanesulfonate13419-61-972 % similar Sodium hexadecylsulfonate15015-81-372 % similar Sodium heptanesulfonate22767-50-672 % similar Sodium dodecylsulfonate2386-53-072 % similar Sodium hexanesulfonate2832-45-372 % similar Sodium 1-nonanesulfonate35192-74-672 % similar

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

Elsewhere

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