Diethyl P-[(methylthio)methyl]phosphonate

C₆H₁₅O₃PSCAS 28460-01-7198.22 g/mol

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Phosphate Sulfide

Properties

Molecular formula: C₆H₁₅O₃PS
Molar mass: 198.22 g/mol
Exact mass: 198.0480 Da
Density: 1.1323 g/mL (at 20 °C)
Boiling point: 119–120 °C (at 10 Torr)
logP: 2.57Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 6

Identifiers

CAS number

28460-01-7

SMILES

CCOP(=O)(CSC)OCC

InChIKey

RAABCCZMKIIGJW-UHFFFAOYSA-N

InChI

InChI=1S/C6H15O3PS/c1-4-8-10(7,6-11-3)9-5-2/h4-6H2,1-3H3

Weigh it out

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

Names and synonyms

6 names

Phosphonic acid, P-[(methylthio)methyl]-, diethyl ester
Phosphonic acid, [(methylthio)methyl]-, diethyl ester
Diethyl [(methylthio)methyl]phosphonate
Diethyl (methylthio)methanephosphonate
[(Methylthio)methyl]phosphonic acid diethyl ester
1-[Ethoxy(methylsulfanylmethyl)phosphoryl]oxyethane

Work with Diethyl P-[(methylthio)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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