Sodium hexanesulfonate

C₆H₁₃NaO₃SCAS 2832-45-3188.22 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₁₃NaO₃S
Molar mass: 188.22 g/mol
Exact mass: 188.0483 Da
logP: 1.07Crippen estimate
Polar surface area: 54.4 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 5

Hazards

Warning

H315 Causes skin irritation95.1% of notifiers
H319 Causes serious eye irritation95.1% of notifiers
H335 May cause respiratory irritation91.8% of notifiers

Aggregated from 61 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

2832-45-3

SMILES

CCCCCCS([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.

Weigh it out

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

Names and synonyms

7 names

1-Hexanesulfonic acid, sodium salt (1:1)
1-Hexanesulfonic acid, sodium salt
Sodium hexyl sulfonate
Hexylsulfonic acid sodium salt
Sodium 1-hexanesulfonate
Sodium n-hexylsulfonate
Sodium 1-hexylsulfonate

Work with Sodium hexanesulfonate

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.

1-Hexanesulfonic acid, sodium salt, hydrate (1:1:1)207300-91-2Hydrate

Similar compounds

Sodium decanesulfonate13419-61-9100 % similar Sodium hexadecylsulfonate15015-81-3100 % similar Sodium heptanesulfonate22767-50-6100 % similar Sodium dodecylsulfonate2386-53-0100 % similar Sodium 1-nonanesulfonate35192-74-6100 % similar Sodium octanesulfonate5324-84-5100 % similar 1-Tridecanesulfonic acid sodium salt5802-89-1100 % similar Sodium 1-undecanesulfonate5838-34-6100 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook