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

C₆H₁₅NaO₄SCAS 207300-91-2206.23 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₁₅NaO₄S
Molar mass: 206.23 g/mol
Exact mass: 206.0589 Da
logP: 0.25Crippen estimate
Polar surface area: 85.9 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 5

Identifiers

CAS number

207300-91-2

SMILES

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

InChIKey

DZRMSCOMGGNXSC-UHFFFAOYSA-N

InChI

InChI=1S/C6H14O3S.Na.H2O/c1-2-3-4-5-6-10(7,8)9;;/h2-6H2,1H3,(H,7,8,9);;1H2

Weigh it out

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

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook