chempirical

Ethanesulfonic acid

C2H6O3SCAS 594-45-6110.13 g/mol

Open in Covalent MOL file
SOOOH
Sulfonic acid

Properties

Molecular formula
C2H6O3S
Molar mass
110.13 g/mol
Exact mass
110.0038 Da
Density
1.2889 g/mL (at 75 °C)
Melting point
−17 °C
Boiling point
123 °C
logP
-0.11Crippen estimate
Polar surface area
54.4 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
594-45-6
SMILES
CCS(=O)(=O)O
InChIKey
CCIVGXIOQKPBKL-UHFFFAOYSA-N
InChI
InChI=1S/C2H6O3S/c1-2-6(3,4)5/h2H2,1H3,(H,3,4,5)

Weigh it out

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

Names and synonyms

2 names
  • Ethylsulfonic acid
  • 1-Ethanesulfonic acid

Work with Ethanesulfonic 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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Propanesulfonic acid5284-66-252 % similar Ethanedisulfonic acid110-04-350 % similar Methanedisulfonic acid503-40-250 % similar Butanesulfonic acid2386-47-248 % similar 1,3-Propanedisulfonic acid21668-77-945 % similar 1,4-Butanedisulfonic acid27665-39-045 % similar 1-Octanesulfonic acid3944-72-744 % similar Aminomethanesulfonic acid13881-91-943 % similar

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

Same formula

Dimethyl sulfite616-42-2 Methyl methanesulfonate66-27-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia