chempirical

Dimethyl dithiophosphoric acid

C2H7O2PS2CAS 756-80-9158.17 g/mol

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OPSSHO

Properties

Molecular formula
C2H7O2PS2
Molar mass
158.17 g/mol
Exact mass
157.9625 Da
Density
1.2888 g/mL (at 20 °C)
Boiling point
62–63 °C (at 4.5 Torr)
logP
1.43Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
756-80-9
SMILES
COP(=S)(S)OC
InChIKey
CZGGKXNYNPJFAX-UHFFFAOYSA-N
InChI
InChI=1S/C2H7O2PS2/c1-3-5(6,7)4-2/h1-2H3,(H,6,7)

Weigh it out

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

Names and synonyms

9 names
  • Phosphorodithioic acid, O,O-dimethyl ester
  • Methyl phosphorodithioate
  • O,O-Dimethyl dithiophosphate
  • O,O-Dimethyl phosphorodithioic acid
  • O,O-Dimethyl hydrogen dithiophosphate
  • O,O-Dimethyl dithiophosphoric acid
  • O,O-Dimethyl phosphorodithioate
  • O,O′-Dimethyl hydrogen dithiophosphate
  • O,O′-Dimethyl dithiophosphate

Work with Dimethyl 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

Diethyl dithiophosphoric acid298-06-643 % similar Ammonium diethyl dithiophosphate1068-22-038 % similar O,O-Dimethyl phosphoramidothioate17321-47-036 % similar Dimethyl chlorothiophosphate2524-03-036 % similar

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

Elsewhere

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