chempirical

Isocarbophos

C11H16NO4PSCAS 24353-61-5289.29 g/mol

Open in Covalent MOL file
OPNH2SOOO
Ester

Properties

Molecular formula
C11H16NO4PS
Molar mass
289.29 g/mol
Exact mass
289.0538 Da
Melting point
44 °C
logP
2.46Crippen estimate
Polar surface area
70.8 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
5

Identifiers

CAS number
24353-61-5
SMILES
COP(N)(=S)Oc1ccccc1C(=O)OC(C)C
InChIKey
YFVOXLJXJBQDEF-UHFFFAOYSA-N
InChI
InChI=1S/C11H16NO4PS/c1-8(2)15-11(13)9-6-4-5-7-10(9)16-17(12,18)14-3/h4-8H,1-3H3,(H2,12,18)

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

Names and synonyms

7 names
  • Benzoic acid, 2-[(aminomethoxyphosphinothioyl)oxy]-, 1-methylethyl ester
  • Salicylic acid, isopropyl ester, O-ester with O-methyl phosphoramidothioate
  • Phosphoramidothioic acid, O-methyl ester, O-ester with isopropyl salicylate
  • BAY 93820
  • Optunal
  • Isocarbofos
  • Isopropyl O-(methoxyaminothiophosphoryl) salicylate

Work with Isocarbophos

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

Isofenphos25311-71-153 % similar Diisopropyl phthalate605-45-852 % similar Isopropyl salicylate607-85-246 % similar Isopropyl benzoate939-48-041 % similar Methyl 2-methoxybenzoate606-45-137 % similar Methyl 2-ethoxybenzoate3686-55-334 % similar Methyl 2-acetoxybenzoate580-02-934 % similar Ethyl 2-methoxybenzoate7335-26-434 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook