chempirical

Isofenphos

C15H24NO4PSCAS 25311-71-1345.39 g/mol

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Ester

Properties

Molecular formula
C15H24NO4PS
Molar mass
345.39 g/mol
Exact mass
345.1164 Da
Density
1.131 g/mL (at 20 °C)
Melting point
below −12 °C
Boiling point
120 °C (at 0.01 Torr)
logP
3.89Crippen estimate
Polar surface area
56.8 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
8

Identifiers

CAS number
25311-71-1
SMILES
CCOP(=S)(NC(C)C)Oc1ccccc1C(=O)OC(C)C
InChIKey
HOQADATXFBOEGG-UHFFFAOYSA-N
InChI
InChI=1S/C15H24NO4PS/c1-6-18-21(22,16-11(2)3)20-14-10-8-7-9-13(14)15(17)19-12(4)5/h7-12H,6H2,1-5H3,(H,16,22)

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

Names and synonyms

11 names
  • Benzoic acid, 2-[[ethoxy[(1-methylethyl)amino]phosphinothioyl]oxy]-, 1-methylethyl ester
  • Salicylic acid, isopropyl ester, O-ester with O-ethyl isopropylphosphoramidothioate
  • Phosphoramidothioic acid, isopropyl-, O-ethyl ester, O-ester with isopropyl salicylate
  • BAY 92114
  • Isophenphos
  • SRA 12869
  • Oftanol
  • Bayer 92114
  • Amaze
  • Pryfon 6
  • Pyfron 6

Work with Isofenphos

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

Isocarbophos24353-61-553 % similar Diisopropyl phthalate605-45-847 % similar Isopropyl salicylate607-85-242 % similar Ethyl 2-ethoxybenzoate6290-24-039 % similar Methyl 2-ethoxybenzoate3686-55-338 % similar Ethyl 2-methoxybenzoate7335-26-438 % similar Isopropyl benzoate939-48-037 % similar Diethyl phthalate84-66-235 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook