Methyl ethanesulfonate

C₃H₈O₃SCAS 1912-28-3124.15 g/mol

Open in Covalent MOL file

Sulfonate ester

Properties

Molecular formula: C₃H₈O₃S
Molar mass: 124.15 g/mol
Exact mass: 124.0194 Da
Boiling point: 100–101 °C (at 24 Torr)
logP: -0.02Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

1912-28-3

SMILES

CCS(=O)(=O)OC

InChIKey

YLJRCXSSKLWCDE-UHFFFAOYSA-N

InChI

InChI=1S/C3H8O3S/c1-3-7(4,5)6-2/h3H2,1-2H3

Weigh it out

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

Names and synonyms

2 names

Ethanesulfonic acid, methyl ester
Methyl ethylsulfonate

Work with Methyl ethanesulfonate

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

Ethyl sulfone597-35-338 % similar Dimethyl sulfate77-78-138 % similar Methyl methanesulfonate66-27-335 % similar 1,5,2,4-Dioxadithiane 2,2,4,4-tetraoxide99591-74-935 % similar Ethanesulfonamide1520-70-333 % similar Methyl fluorosulfonate421-20-533 % similar Ethanesulfonyl chloride594-44-533 % similar Ethanesulfonic acid594-45-633 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(Methylsulfonyl)ethanol15205-66-0 1-Propanesulfonic acid5284-66-2 Ethyl methanesulfonate62-50-0

Elsewhere

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