Isocarbophos

C11H16NO4PSCAS 24353-61-5289.29 g/mol

Open in Covalent MOL file
OPH2NSOOO
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

Hazards

Danger
Acute Toxic (GHS06)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P262, P264, P270, P280, P301+P316, P302+P352, P316, P321, P330, P361+P364, P405, P501

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)

Weigh it out

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 3-Oxo-1,3-dihydroisobenzofuran-1-ylphosphonic acid61260-15-942 % similar Isopropyl benzoate939-48-041 % similar Methyl 2-methoxybenzoate606-45-137 % similar Propan-2-yl 4-aminobenzoate18144-43-936 % similar 3-Bromophthalide6940-49-434 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook