chempirical

Sodium 2-chloroethanesulfonate

C2H4ClNaO3SCAS 15484-44-3166.55 g/mol

Open in Covalent MOL file
O−SOOClNa+
Alkyl halideSulfonic acid

Properties

Molecular formula
C2H4ClNaO3S
Molar mass
166.55 g/mol
Exact mass
165.9467 Da
logP
-0.27Crippen estimate
Polar surface area
54.4 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
15484-44-3
SMILES
[O-]S(=O)(=O)CCCl.[Na+]
InChIKey
SXGDKQFTZQEJMJ-UHFFFAOYSA-N
InChI
InChI=1S/C2H5ClO3S.Na/c3-1-2-7(4,5)6;/h1-2H2,(H,4,5,6);

Weigh it out

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

Names and synonyms

5 names
  • Ethanesulfonic acid, 2-chloro-, sodium salt (1:1)
  • Ethanesulfonic acid, 2-chloro-, sodium salt
  • Sodium 2-chloroethylsulfonate
  • Sodium β-chloroethanesulfonate
  • 2-Chloroethane sulfonic acid sodium salt

Work with Sodium 2-chloroethanesulfonate

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

Disodium 1,2-ethanedisulfonate5325-43-967 % similar Disodium butane-1,4-disulfonate36589-61-461 % similar Propylsulfonic acid sodium salt14533-63-256 % similar Sodium 2-hydroxyethyl sulfonate1562-00-154 % similar Mesna19767-45-454 % similar Sodium 2-bromoethanesulfonate4263-52-954 % similar Disodium methanedisulfonate5799-70-252 % similar Sodium pipesate76836-02-752 % similar

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

Elsewhere

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