chempirical

Ammonium isethionate

C2H9NO4SCAS 57267-78-4143.16 g/mol

Open in Covalent MOL file
NH3OSOHOOH
AlcoholSulfonic acid

Properties

Molecular formula
C2H9NO4S
Molar mass
143.16 g/mol
Exact mass
143.0252 Da
Melting point
137–138 °C
logP
-0.97Crippen estimate
Polar surface area
109.6 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
2

Identifiers

CAS number
57267-78-4
SMILES
N.O=S(=O)(O)CCO
InChIKey
LLOHIFXFHGMBNO-UHFFFAOYSA-N
InChI
InChI=1S/C2H6O4S.H3N/c3-1-2-7(4,5)6;/h3H,1-2H2,(H,4,5,6);1H3

Weigh it out

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

Names and synonyms

2 names
  • Ethanesulfonic acid, 2-hydroxy-, ammonium salt (1:1)
  • Ethanesulfonic acid, 2-hydroxy-, monoammonium salt

Work with Ammonium isethionate

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

Isethionic acid107-36-884 % similar Ethanedisulfonic acid110-04-355 % similar N,N-Bis(2-hydroxyethyl)-2-aminoethanesulfonic acid10191-18-152 % similar 1,3-Propanedisulfonic acid21668-77-950 % similar 1,4-Butanedisulfonic acid27665-39-050 % similar Hepes7365-45-950 % similar Hepps (buffer)16052-06-547 % similar Taurine107-35-744 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook