Diethyl dithiophosphoric acid

C₄H₁₁O₂PS₂CAS 298-06-6186.22 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 4

Hazards

Danger

H301 Toxic if swallowed25.9% of notifiers
H302+H332 Harmful if swallowed or if inhaled71.4% of notifiers
H302 Harmful if swallowed73.5% of notifiers
H311 Toxic in contact with skin26.5% of notifiers
H314 Causes severe skin burns and eye damage99.3% of notifiers
H318 Causes serious eye damage71.4% of notifiers
H330 Fatal if inhaled26.5% of notifiers
H332 Harmful if inhaled72.8% of notifiers

Aggregated from 147 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P361+P364, P363, P403+P233, P405, P501

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Ammonium diethyl dithiophosphate1068-22-0Salt

Similar compounds

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 Tetraethyl methylenediphosphonate1660-94-235 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia