Sodium 2-hydroxy-3-(2-propynyloxy)-1-propanesulfonate

C6H9NaO4SCAS 30290-53-0200.18 g/mol

Open in Covalent MOL file
OSO−OONa+
AlkyneEtherSulfonic acid

Properties

Molecular formula
C6H9NaO4S
Molar mass
200.18 g/mol
Exact mass
200.0119 Da
logP
-0.47Crippen estimate
Polar surface area
63.6 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
5

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
30290-53-0
SMILES
C#CCOCCCS([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

3 names
  • 1-Propanesulfonic acid, 3-(2-propyn-1-yloxy)-, sodium salt (1:1)
  • 1-Propanesulfonic acid, 3-(2-propynyloxy)-, sodium salt
  • Sodium 3-propargyloxypropylsulfonate

Work with Sodium 2-hydroxy-3-(2-propynyloxy)-1-propanesulfonate

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

1,3-Propanedisulfonic acid disodium salt36589-58-952 % similar Disodium butane-1,4-disulfonate36589-61-452 % similar Sodium 2-propyne-1-sulfonate55947-46-150 % similar 3-(N-Morpholino)propanesulfonic acid sodium salt71119-22-749 % similar Disodium 1,2-ethanedisulfonate5325-43-945 % similar Sodium 3-mercapto-1-propanesulfonate17636-10-144 % similar Sodium 1-butanesulfonate2386-54-144 % similar Bis(sodium sulfopropyl) disulfide27206-35-544 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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