Diethyl P-[(phenylsulfonyl)methyl]phosphonate

C₁₁H₁₇O₅PSCAS 56069-39-7292.29 g/mol

Open in Covalent MOL file

Phosphate Sulfone

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 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 7

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

Weigh it out

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

Names and synonyms

4 names

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

Work with Diethyl P-[(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

Elsewhere

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