chempirical

Diethyl ((phenylsulfonyl)methyl)phosphonate

C11H17O5PSCAS 56069-39-7292.29 g/mol

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PhosphonateSulfone

Properties

Molecular formula
C11H17O5PS
Molar mass
292.29 g/mol
Exact mass
292.0534 Da
Melting point
145–148 °C
Boiling point
182–184 °C (at 0.25 Torr)
logP
2.68Crippen estimate
Polar surface area
69.7 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
7

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
56069-39-7
SMILES
CCOP(=O)(CS(=O)(=O)c1ccccc1)OCC
InChIKey
RCSDMTWWPNXXPP-UHFFFAOYSA-N
InChI
InChI=1S/C11H17O5PS/c1-3-15-17(12,16-4-2)10-18(13,14)11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3

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Names and synonyms

5 names
  • Diethyl P-[(phenylsulfonyl)methyl]phosphonate
  • Phosphonic acid, P-[(phenylsulfonyl)methyl]-, diethyl ester
  • Phosphonic acid, [(phenylsulfonyl)methyl]-, diethyl ester
  • Diethyl (phenylsulfonyl)methanephosphonate
  • Diethyl (phenylsulfonyl)methylphosphonate

Reactions

Work with Diethyl ((phenylsulfonyl)methyl)phosphonate

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

Diethyl P-(phenylmethyl)phosphonate1080-32-653 % similar Diethyl phenylthiomethylphosphonate38066-16-953 % similar (Ethylsulphonyl)benzene599-70-250 % similar Ethyl phenylsulfonylacetate7605-30-349 % similar 9,10-Bis(diethylphosphonomethyl)anthracene60974-92-747 % similar P,P,P′,P′-Tetraethyl P,P′-[1,4-phenylenebis(methylene)]bis[phosphonate]4546-04-747 % similar Ethyl benzenesulfonate515-46-846 % similar Bis(phenylsulfonyl)methane3406-02-845 % similar

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

Elsewhere

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