Sodium 4-chloro-1-hydroxybutanesulfonate

C₄H₈ClNaO₄SCAS 54322-20-2210.60 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide Sulfonic 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 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 4

Identifiers

CAS number

54322-20-2

SMILES

[O-]S(=O)(=O)C(O)CCCCl.[Na+]

InChIKey

YCJHDACSGJKCFI-UHFFFAOYSA-N

InChI

InChI=1S/C4H9ClO4S.Na/c5-3-1-2-4(6)10(7,8)9;/h4,6H,1-3H2,(H,7,8,9);

Weigh it out

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

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

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook