Ammonium diethyl dithiophosphate

C₄H₁₄NO₂PS₂CAS 1068-22-0203.25 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₁₄NO₂PS₂
Molar mass: 203.25 g/mol
Exact mass: 203.0204 Da
Melting point: 165–166 °C
logP: 2.38Crippen estimate
Polar surface area: 53.5 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H332 Harmful if inhaled100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number

1068-22-0

SMILES

CCOP(=S)(S)OCC.N

InChIKey

HFRHTRKMBOQLLL-UHFFFAOYSA-N

InChI

InChI=1S/C4H11O2PS2.H3N/c1-3-5-7(8,9)6-4-2;/h3-4H2,1-2H3,(H,8,9);1H3

Weigh it out

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

Names and synonyms

15 names · show all

Phosphorodithioic acid, O,O-diethyl ester, ammonium salt (1:1)
Phosphorodithioic acid, O,O-diethyl ester, ammonium salt
Ammonium ethyl phosphorodithioate
Ammonium O,O′-diethyldithiophosphate
Ammonium O,O-diethyl dithiophosphate
S-Ammonium O,O′-diethyl phosphorodithioate
Ammonium O,O-diethyl phosphorodithioate
O,O-Diethyl ammonium phosphorodithioate
NF 133
Ammonium diethyldithiophosphate
Ammonium di-O-ethyl dithiophosphate
O,O-Diethylphosphorodithioic acid ammonium salt
Ammonium O,O-diethyl phosphorodithioate(1-)
Ethyl ammonium phosphorodithioate, (EtO)2(NH4S)PS
Kejunlin

Work with Ammonium diethyl dithiophosphate

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.

Diethyl dithiophosphoric acid298-06-6Parent compound

Similar compounds

Sulfotep3689-24-541 % similar O,O-Diethyl phosphorochloridothioate2524-04-139 % similar Dimethyl dithiophosphoric acid756-80-938 % similar Ethion563-12-237 % similar Chlormephos24934-91-633 % similar Triethyl phosphate78-40-033 % similar Phorate298-02-231 % similar Dioxathion78-34-231 % similar

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

Elsewhere

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