chempirical

Sodium 1-chloro-2-hydroxypropane-3-sulfonate

C3H6ClNaO4SCAS 126-83-0196.58 g/mol

Open in Covalent MOL file
O−SOOOHClNa+
AlcoholAlkyl halideSulfonic acid

Properties

Molecular formula
C3H6ClNaO4S
Molar mass
196.58 g/mol
Exact mass
195.9573 Da
logP
-0.91Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3

Identifiers

CAS number
126-83-0
SMILES
[O-]S(=O)(=O)CC(O)CCl.[Na+]
InChIKey
NWISHBWZLSLOBC-UHFFFAOYSA-N
InChI
InChI=1S/C3H7ClO4S.Na/c4-1-3(5)2-9(6,7)8;/h3,5H,1-2H2,(H,6,7,8);

Weigh it out

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

Names and synonyms

13 names · show all
  • 1-Propanesulfonic acid, 3-chloro-2-hydroxy-, sodium salt (1:1)
  • 1-Propanesulfonic acid, 3-chloro-2-hydroxy-, monosodium salt
  • Sodium 2-hydroxy-3-chloropropanesulfonate
  • Sodium 3-chloro-2-hydroxypropanesulfonate
  • Sodium 3-chloro-2-hydroxypropylsulfonate
  • Sodium 3-chloro-2-hydroxy-1-propanesulfonate
  • Sodium epichlorohydrinsulfonate
  • 1-Chloro-2-hydroxypropane-3-sulfonic acid sodium salt
  • Sodium 3-chloro-2-hydroxypropane-1-sulfonic acid
  • NSC 52602
  • NSC 53150
  • 3-Chloro-2-hydroxy-1-propanesulfonic acid sodium salt
  • 3-Chloro-2-hydroxypropanesulfonate sodium salt

Work with Sodium 1-chloro-2-hydroxypropane-3-sulfonate

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

1-Propanesulfonic acid, 3-(cyclohexylamino)-2-hydroxy-, sodium salt (1:1)102601-34-353 % similar 3-[N,N-Bis(hydroxyethyl)amino]-2-hydroxypropanesulphonic acid sodium salt102783-62-053 % similar 3-[N-Tris(hydroxymethyl)methylamino]-2-hydroxypropanesulfonic acid sodium salt105140-25-851 % similar Sodium 3-allyloxy-2-hydroxy-1-propanesulfonate52556-42-050 % similar Ampso sodium salt102029-60-748 % similar 1-(2-Hydroxy-3-sulfopropyl)pyridinium betaine3918-73-845 % similar Sodium 3-[(3,5-dimethylphenyl)ethylamino]-2-hydroxy-1-propanesulfonate (1:1)82692-97-545 % similar Sodium 2-chloroethanesulfonate15484-44-344 % similar

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

Elsewhere

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