chempirical

Sodium 1-butanesulfonate

C4H9NaO3SCAS 2386-54-1160.16 g/mol

Open in Covalent MOL file
SO−OONa+
Sulfonic acid

Properties

Molecular formula
C4H9NaO3S
Molar mass
160.16 g/mol
Exact mass
160.0170 Da
logP
0.29Crippen estimate
Polar surface area
54.4 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Identifiers

CAS number
2386-54-1
SMILES
CCCCS([O-])(=O)=O.[Na+]
InChIKey
ATZRRRJPVCTDKR-UHFFFAOYSA-N
InChI
InChI=1S/C4H10O3S.Na/c1-2-3-4-8(5,6)7;/h2-4H2,1H3,(H,5,6,7);

Weigh it out

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

Names and synonyms

6 names
  • 1-Butanesulfonic acid, sodium salt (1:1)
  • 1-Butanesulfonic acid, sodium salt
  • Butylsulfonic acid sodium salt
  • Sodium butanesulfonate
  • Sodium butylsulfonate
  • Sodium n-butylsulfonate

Work with Sodium 1-butanesulfonate

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 pentanesulfonate22767-49-388 % similar Sodium decanesulfonate13419-61-984 % similar Sodium hexadecylsulfonate15015-81-384 % similar Sodium heptanesulfonate22767-50-684 % similar Sodium dodecylsulfonate2386-53-084 % similar Sodium hexanesulfonate2832-45-384 % similar Sodium 1-nonanesulfonate35192-74-684 % similar Sodium octanesulfonate5324-84-584 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook