chempirical

Demeton-O

C8H19O3PS2CAS 298-03-3258.33 g/mol

Open in Covalent MOL file
OPSOOS
Sulfide

Properties

Molecular formula
C8H19O3PS2
Molar mass
258.33 g/mol
Exact mass
258.0513 Da
Density
1.119 g/mL (at 21 °C)
Boiling point
134 °C (at 2 Torr)
logP
3.05Crippen estimate
Polar surface area
27.7 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
9

Identifiers

CAS number
298-03-3
SMILES
CCOP(=S)(OCC)OCCSCC
InChIKey
DGLIBALSRMUQDD-UHFFFAOYSA-N
InChI
InChI=1S/C8H19O3PS2/c1-4-9-12(13,10-5-2)11-7-8-14-6-3/h4-8H2,1-3H3

Weigh it out

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

Names and synonyms

5 names
  • Phosphorothioic acid, O,O-diethyl O-[2-(ethylthio)ethyl] ester
  • Phosphorothioic acid, O,O-diethyl ester O-[2-(ethylthio)ethyl] ester
  • O,O-Diethyl O-[2-(ethylthio)ethyl] phosphorothionate
  • Demetonthione
  • NSC 8928

Work with Demeton-O

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

Demeton-O-methyl867-27-668 % similar Disulfoton298-04-453 % similar Sulfotep3689-24-548 % similar Phorate298-02-246 % similar Thiometon640-15-338 % similar Ethion563-12-235 % similar Dioxathion78-34-234 % similar O,O-Diethyl phosphorochloridothioate2524-04-133 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook