chempirical

Profenofos

C11H15BrClO3PSCAS 41198-08-7373.63 g/mol

Open in Covalent MOL file
SPOOOBrCl
Aryl halide

Properties

Molecular formula
C11H15BrClO3PS
Molar mass
373.63 g/mol
Exact mass
371.9351 Da
Density
1.455 g/mL (at 20 °C)
Melting point
below 25 °C
Boiling point
100 °C (at 0.0135 Torr)
logP
5.77Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
7

Identifiers

CAS number
41198-08-7
SMILES
CCCSP(=O)(OCC)Oc1ccc(Br)cc1Cl
InChIKey
QYMMJNLHFKGANY-UHFFFAOYSA-N
InChI
InChI=1S/C11H15BrClO3PS/c1-3-7-18-17(14,15-4-2)16-11-6-5-9(12)8-10(11)13/h5-6,8H,3-4,7H2,1-2H3

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Names and synonyms

18 names · show all
  • Phosphorothioic acid, O-(4-bromo-2-chlorophenyl) O-ethyl S-propyl ester
  • O-(4-Bromo-2-chlorophenyl) O-ethyl S-propyl phosphorothioate
  • CGA 15324
  • Curacron
  • O-Ethyl-S-n-propyl-O-(2-chloro-4-bromophenyl)thiophosphate
  • Polycron
  • Selecron
  • O-Ethyl S-propyl O-(2-chloro-4-bromophenyl)thiophosphate
  • Tambo
  • Profenophos
  • Carina
  • Calofos
  • Prowess
  • Ictacron
  • Sylian
  • Teleton
  • Cord (insecticide)
  • Cord

Work with Profenofos

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

Prothiofos34643-46-451 % similar Pyraclofos77458-01-645 % similar Ethoprophos13194-48-440 % similar Dichlofenthion97-17-639 % similar Bromophos-ethyl4824-78-638 % similar Ethyl 5-bromo-2-chlorobenzoate76008-73-637 % similar Diethyl P-[(4-bromophenyl)methyl]phosphonate38186-51-535 % similar 5-Bromo-2-ethoxybenzaldehyde79636-94-534 % similar

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

Elsewhere

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