1-Tridecanesulfonic acid sodium salt

C₁₃H₂₇NaO₃SCAS 5802-89-1286.41 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₃H₂₇NaO₃S
Molar mass: 286.41 g/mol
Exact mass: 286.1579 Da
logP: 0.85Crippen estimate
Polar surface area: 57.2 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 12

Hazards

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

Identifiers

CAS number

5802-89-1

SMILES

CCCCCCCCCCCCCS(=O)(=O)[O-].[Na+]

InChIKey

CACJZDMMUHMEBN-UHFFFAOYSA-M

InChI

InChI=1S/C13H28O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(14,15)16;/h2-13H2,1H3,(H,14,15,16);/q;+1/p-1

Weigh it out

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

Names and synonyms

1 names

Sodium tridecane-1-sulfonate

Work with 1-Tridecanesulfonic acid sodium salt

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 decanesulfonate13419-61-9100 % similar Sodium hexadecylsulfonate15015-81-3100 % similar Sodium heptanesulfonate22767-50-6100 % similar Sodium dodecylsulfonate2386-53-0100 % similar Sodium hexanesulfonate2832-45-3100 % similar Sodium 1-nonanesulfonate35192-74-6100 % similar Sodium octanesulfonate5324-84-5100 % similar Sodium 1-undecanesulfonate5838-34-6100 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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