Ethyl methanesulfonate

C3H8O3SCAS 62-50-0124.15 g/mol

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Sulfonate ester

Properties

Molecular formula
C3H8O3S
Molar mass
124.15 g/mol
Exact mass
124.0194 Da
Density
1.1452 g/mL (at 22 °C)
Melting point
below 25 °C
Boiling point
213–213.5 °C (at 761 Torr)
Flash point
100 °C
Water solubility
50–100 g/L (27.2 °C)
logP
-0.02Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Hazards

Danger
Irritant (GHS07)Health Hazard (GHS08)

Aggregated from 52 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P264, P270, P280, P301+P317, P318, P330, P405, P501

Identifiers

CAS number
62-50-0
SMILES
CCOS(C)(=O)=O
InChIKey
PLUBXMRUUVWRLT-UHFFFAOYSA-N
InChI
InChI=1S/C3H8O3S/c1-3-6-7(2,4)5/h3H2,1-2H3

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Names and synonyms

6 names
  • Methanesulfonic acid, ethyl ester
  • EMS
  • Ethyl methanesulphonate
  • NSC 26805
  • Ethyl mesylate
  • O-Ethyl methylsulfonate

Work with Ethyl methanesulfonate

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

Busulfan55-98-155 % similar Diethyl sulfate64-67-552 % similar Butyl methanesulfonate1912-32-952 % similar 2,2,2-Trifluoroethyl methanesulfonate25236-64-046 % similar Ethyl chlorosulfate625-01-446 % similar Methanesulfonic anhydride7143-01-345 % similar (R,R)-1,2-Bis(methanesulfonyloxymethyl)cyclohexane186204-35-344 % similar Methyl methanesulfonate66-27-341 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(Methylsulfonyl)ethanol15205-66-0 Methyl ethanesulfonate1912-28-3 1-Propanesulfonic acid5284-66-2

Elsewhere

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