Sodium 4-chloro-1-hydroxybutanesulfonate

C4H8ClNaO4SCAS 54322-20-2210.60 g/mol

Open in Covalent MOL file
O−SOOOHClNa+
AlcoholAlkyl halideSulfonic acid

Properties

Molecular formula
C4H8ClNaO4S
Molar mass
210.60 g/mol
Exact mass
209.9730 Da
logP
-0.17Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4

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
54322-20-2
SMILES
[O-]S(=O)(=O)C(O)CCCCl.[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

2 names
  • 1-Butanesulfonic acid, 4-chloro-1-hydroxy-, sodium salt (1:1)
  • 1-Butanesulfonic acid, 4-chloro-1-hydroxy-, monosodium salt

Work with Sodium 4-chloro-1-hydroxybutanesulfonate

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 glyoxal bisulfite517-21-545 % similar Sodium 2-chloroethanesulfonate15484-44-338 % similar Sodium 1-chloro-2-hydroxypropane-3-sulfonate126-83-036 % similar 1-Propanesulfonic acid, 3-(cyclohexylamino)-2-hydroxy-, sodium salt (1:1)102601-34-331 % similar N-Hydroxysulfosuccinimide sodium salt106627-54-731 % similar Cyclamate139-05-931 % similar Sodium 2-hydroxy-1-(4-(2-hydroxyethyl)piperazin-1-yl)propane-1-sulfonate89648-37-331 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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