chempirical

Diethyl dithiophosphoric acid

C4H11O2PS2CAS 298-06-6186.22 g/mol

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Properties

Molecular formula
C4H11O2PS2
Molar mass
186.22 g/mol
Exact mass
185.9938 Da
Density
1.1753 g/mL (at 13 °C)
Boiling point
85–90 °C (at NaN Torr)
logP
2.21Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4

Identifiers

CAS number
298-06-6
SMILES
CCOP(=S)(S)OCC
InChIKey
IRDLUHRVLVEUHA-UHFFFAOYSA-N
InChI
InChI=1S/C4H11O2PS2/c1-3-5-7(8,9)6-4-2/h3-4H2,1-2H3,(H,8,9)

Weigh it out

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

Names and synonyms

11 names
  • Phosphorodithioic acid, O,O-diethyl ester
  • O,O′-Diethyl hydrogen dithiophosphate
  • Dithiophosphoric acid O,O-diethyl ester
  • O,O-Diethyl dithiophosphate
  • O,O-Diethyl phosphorodithioate
  • O,O′-Diethyl dithiophosphate
  • O,O-Diethyl hydrogen phosphorodithioate
  • O,O-Diethyl dithiophosphoric acid ester
  • O,O-Diethyl thiolothionophosphate
  • Di-O-ethyl dithiophosphate
  • NSC 171184

Work with Diethyl dithiophosphoric acid

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

Ammonium diethyl dithiophosphate1068-22-086 % similar Sulfotep3689-24-546 % similar O,O-Diethyl phosphorochloridothioate2524-04-144 % similar Dimethyl dithiophosphoric acid756-80-943 % similar Ethion563-12-241 % similar Triethyl phosphate78-40-038 % similar Chlormephos24934-91-637 % similar Tetraethyl pyrophosphate107-49-335 % similar

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

Elsewhere

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