2-(Methylsulfonyl)ethanol

C₃H₈O₃SCAS 15205-66-0124.15 g/mol

Open in Covalent MOL file

Alcohol Sulfone

Properties

Molecular formula: C₃H₈O₃S
Molar mass: 124.15 g/mol
Exact mass: 124.0194 Da
Melting point: 26–28 °C
Boiling point: 145 °C
logP: -0.98Crippen estimate
Polar surface area: 54.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation50% of notifiers
H317 May cause an allergic skin reaction25% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

15205-66-0

SMILES

CS(=O)(=O)CCO

InChIKey

KFTYFTKODBWKOU-UHFFFAOYSA-N

InChI

InChI=1S/C3H8O3S/c1-7(5,6)3-2-4/h4H,2-3H2,1H3

Weigh it out

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

Names and synonyms

5 names

Ethanol, 2-(methylsulfonyl)-
2-(Methylsulfonyl)ethyl alcohol
2-Hydroxyethyl methyl sulfone
2-(Methanesulfonyl)ethanol
2-Methanesulfonylethan-1-ol

Work with 2-(Methylsulfonyl)ethanol

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

3-(Methylsulfonyl)propanoic acid645-83-044 % similar 2-(Ethylsulfonyl)ethanol513-12-244 % similar 1-Chloro-3-methanesulfonyl-propane54533-11-844 % similar Isethionic acid107-36-843 % similar 2-(Methylsulfonyl)ethylamine hydrochloride104458-24-442 % similar Ammonium isethionate57267-78-438 % similar Sodium 2-hydroxyethyl sulfonate1562-00-137 % similar (Methylsulfonyl)acetic acid2516-97-437 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl ethanesulfonate1912-28-3 1-Propanesulfonic acid5284-66-2 Ethyl methanesulfonate62-50-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook