chempirical

Sulfotep

C8H20O5P2S2CAS 3689-24-5322.31 g/mol

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OPSOOPSOO

Properties

Molecular formula
C8H20O5P2S2
Molar mass
322.31 g/mol
Exact mass
322.0227 Da
Density
1.196 g/mL (at 25 °C)
Melting point
below 25 °C
Boiling point
136–139 °C (at 2 Torr)
logP
3.60Crippen estimate
Polar surface area
46.1 Ų
H-bond donors / acceptors
0 / 7
Rotatable bonds
10

Identifiers

CAS number
3689-24-5
SMILES
CCOP(=S)(OCC)OP(=S)(OCC)OCC
InChIKey
XIUROWKZWPIAIB-UHFFFAOYSA-N
InChI
InChI=1S/C8H20O5P2S2/c1-5-9-14(16,10-6-2)13-15(17,11-7-3)12-8-4/h5-8H2,1-4H3

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Names and synonyms

21 names · show all
  • Thiodiphosphoric acid ([(HO)2P(S)]2O), OP,OP,OP′,OP′-tetraethyl ester
  • Thiopyrophosphoric acid ([(HO)2PS]2O), tetraethyl ester
  • Thiodiphosphoric acid ([(HO)2P(S)]2O), tetraethyl ester
  • ASP 47
  • E 393
  • Dithiofos
  • Dithiophos
  • Dithiotep
  • Sulfotepp
  • TEDTP
  • O,O,O,O-Tetraethyl dithiopyrophosphate
  • Thiotepp
  • Ethyl thiopyrophosphate ([(EtO)2PS]2O)
  • Dithione
  • Bladafum
  • Dithion
  • TEDP
  • Plantfume 103
  • Fulex
  • NSC 66403
  • O,O,O′,O′-Tetraethyl dithiopyrophosphate

Work with Sulfotep

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-O298-03-348 % similar O,O-Diethyl phosphorochloridothioate2524-04-146 % similar Diethyl dithiophosphoric acid298-06-646 % similar Thionazin297-97-245 % similar Bromophos-ethyl4824-78-643 % similar Ethion563-12-242 % similar Tetraethyl pyrophosphate107-49-342 % similar Fensulfothion115-90-242 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia