chempirical

Isethionic acid

C2H6O4SCAS 107-36-8126.13 g/mol

Open in Covalent MOL file
OSOHOOH
AlcoholSulfonic acid

Properties

Molecular formula
C2H6O4S
Molar mass
126.13 g/mol
Exact mass
125.9987 Da
Melting point
below 25 °C
logP
-1.13Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Identifiers

CAS number
107-36-8
SMILES
O=S(=O)(O)CCO
InChIKey
SUMDYPCJJOFFON-UHFFFAOYSA-N
InChI
InChI=1S/C2H6O4S/c3-1-2-7(4,5)6/h3H,1-2H2,(H,4,5,6)

Weigh it out

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

Names and synonyms

8 names
  • Ethanesulfonic acid, 2-hydroxy-
  • 2-Hydroxyethanesulfonic acid
  • (Hydroxyethyl)sulfonic acid
  • Ethanolsulfonic acid
  • (2-Hydroxyethyl)sulfonic acid
  • NSC 60516
  • Tego HES 70
  • 2-Hydroxyethane-1-sulfonic acid

Work with Isethionic acid

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

Ammonium isethionate57267-78-484 % similar Ethanedisulfonic acid110-04-365 % similar N,N-Bis(2-hydroxyethyl)-2-aminoethanesulfonic acid10191-18-158 % similar 1,3-Propanedisulfonic acid21668-77-958 % similar 1,4-Butanedisulfonic acid27665-39-058 % similar Hepes7365-45-956 % similar Hepps (buffer)16052-06-552 % similar Taurine107-35-750 % similar

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

Same formula

Dimethyl sulfate77-78-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia