1-Hexanesulfonic acid, sodium salt, hydrate (1:1:1)

C6H15NaO4SCAS 207300-91-2206.23 g/mol

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SO−OOH2ONa+
Sulfonic acid

Properties

Molecular formula
C6H15NaO4S
Molar mass
206.23 g/mol
Exact mass
206.0589 Da
logP
0.25Crippen estimate
Polar surface area
85.9 Ų
H-bond donors / acceptors
1 / 2
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
207300-91-2
SMILES
CCCCCCS([O-])(=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

1 names
  • 1-Hexanesulfonic acid, sodium salt, monohydrate

Work with 1-Hexanesulfonic acid, sodium salt, hydrate (1:1:1)

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Sodium hexanesulfonate2832-45-3Anhydrous

Similar compounds

Sodium 1-heptanesulfonate monohydrate207300-90-1100 % similar Sodium Octane-1-sulfonate Hydrate207596-29-0100 % similar Sodium 1-pentanesulfonate hydrate (1:1:1)207605-40-196 % similar Sodium decanesulfonate13419-61-989 % similar Sodium hexadecylsulfonate15015-81-389 % similar Sodium heptanesulfonate22767-50-689 % similar Sodium dodecylsulfonate2386-53-089 % similar Sodium 1-nonanesulfonate35192-74-689 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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