Sodium allylsulfonate

C3H5NaO3SCAS 2495-39-8144.12 g/mol

Open in Covalent MOL file
SO−OONa+
AlkeneSulfonic acid

Properties

Molecular formula
C3H5NaO3S
Molar mass
144.12 g/mol
Exact mass
143.9857 Da
Melting point
242 °C (decomposes)
logP
-0.32Crippen estimate
Polar surface area
54.4 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
2495-39-8
SMILES
C=CCS([O-])(=O)=O.[Na+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

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Names and synonyms

5 names
  • 2-Propene-1-sulfonic acid, sodium salt (1:1)
  • 2-Propene-1-sulfonic acid, sodium salt
  • Sodium 2-propene-1-sulfonate
  • Sodium 1-propene-3-sulfonate
  • Allylsulfonic acid, sodium salt

Work with Sodium allylsulfonate

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

Disodium 1,2-ethanedisulfonate5325-43-950 % similar Disodium methanedisulfonate5799-70-250 % similar 1,3-Propanedisulfonic acid disodium salt36589-58-946 % similar Disodium butane-1,4-disulfonate36589-61-446 % similar Sodium 3-allyloxy-2-hydroxy-1-propanesulfonate52556-42-045 % similar Sodium hydroxymethanesulfonate870-72-444 % similar Propylsulfonic acid sodium salt14533-63-243 % similar Sodium 2-chloroethanesulfonate15484-44-341 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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