Ethanesulfonic 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
Hazards
Danger
- H290 May be corrosive to metals15.3% of notifiers
- H302+H312 Harmful if swallowed or in contact with skin13.6% of notifiers
- H302 Harmful if swallowed81.4% of notifiers
- H312 Harmful in contact with skin15.3% of notifiers
- H314 Causes severe skin burns and eye damage100% of notifiers
- H318 Causes serious eye damage22% of notifiers
- H335 May cause respiratory irritation15.3% of notifiers
Aggregated from 59 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P234, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P390, P403+P233, P405, P406, P501
Identifiers
CAS number
594-45-6SMILES
CCS(=O)(=O)OInChIKey
CCIVGXIOQKPBKL-UHFFFAOYSA-NInChI
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
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
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.