chempirical

Demeton-O-methyl

C6H15O3PS2CAS 867-27-6230.28 g/mol

Open in Covalent MOL file
SOPSOO
Sulfide

Properties

Molecular formula
C6H15O3PS2
Molar mass
230.28 g/mol
Exact mass
230.0200 Da
Density
1.2 g/mL
Melting point
below 25 °C
Boiling point
93 °C (at 0.5 Torr)
logP
2.27Crippen estimate
Polar surface area
27.7 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
7

Identifiers

CAS number
867-27-6
SMILES
CCSCCOP(=S)(OC)OC
InChIKey
ZVZQKNVMDKSGGF-UHFFFAOYSA-N
InChI
InChI=1S/C6H15O3PS2/c1-4-12-6-5-9-10(11,7-2)8-3/h4-6H2,1-3H3

Weigh it out

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

Names and synonyms

8 names
  • Phosphorothioic acid, O-[2-(ethylthio)ethyl] O,O-dimethyl ester
  • Phosphorothioic acid, O-[2-(ethylthio)ethyl] O,O-di-Me ester
  • O,O-Dimethyl O-2-(ethylthio)ethyl phosphorothioate
  • O-[2-(Ethylthio)ethyl] O,O-dimethyl phosphorothioate
  • O-[2-(Ethylthio)ethyl] O,O-dimethyl thiophosphate
  • Methyl-O-demeton
  • O,O-Dimethyl O-[2-(ethylthio)ethyl] thiophosphate
  • 2-Ethylsulfanylethoxy-dimethoxy-sulfanylidene-λ5-phosphane

Work with Demeton-O-methyl

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-O298-03-368 % similar Thiometon640-15-350 % similar Disulfoton298-04-441 % similar Phorate298-02-234 % similar Ethyl propyl sulfide4110-50-333 % similar 2-(Ethylthio)ethanol110-77-031 % similar 2-Chloroethyl ethyl sulfide693-07-231 % similar Sulfotep3689-24-530 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook