chempirical

Isopropyl methanesulfonate

C4H10O3SCAS 926-06-7138.18 g/mol

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Sulfonate ester

Properties

Molecular formula
C4H10O3S
Molar mass
138.18 g/mol
Exact mass
138.0351 Da
Density
1.145 g/mL (at 20 °C)
Melting point
5.5–6.5 °C
Boiling point
30 °C (at 0.02 Torr)
logP
0.37Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
926-06-7
SMILES
CC(C)OS(C)(=O)=O
InChIKey
SWWHCQCMVCPLEQ-UHFFFAOYSA-N
InChI
InChI=1S/C4H10O3S/c1-4(2)7-8(3,5)6/h4H,1-3H3

Weigh it out

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

Names and synonyms

5 names
  • Methanesulfonic acid, 1-methylethyl ester
  • Methanesulfonic acid, isopropyl ester
  • Isopropyl methanesulphonate
  • Isopropyl mesylate
  • 2-Propyl methanesulfonate

Work with Isopropyl 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

Methanesulfonic anhydride7143-01-345 % similar Tetrahydro-2H-pyran-4-yl methanesulfonate134419-59-344 % similar Methyl methanesulfonate66-27-341 % similar Busulfan55-98-136 % similar Ethyl methanesulfonate62-50-036 % similar (R,R)-1,2-Bis(methanesulfonyloxymethyl)cyclohexane186204-35-334 % similar 1-(Diphenylmethyl)-3-[(methylsulfonyl)oxy]azetidine33301-41-632 % similar 1-(tert-Butoxycarbonyl)-3-(methanesulfonyloxy)azetidine141699-58-332 % similar

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

Same formula

Butanesulfonic acid2386-47-2 2-(Ethylsulfonyl)ethanol513-12-2 Diethyl sulfite623-81-4

Elsewhere

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