Iprobenfos

C₁₃H₂₁O₃PSCAS 26087-47-8288.34 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₃H₂₁O₃PS
Molar mass: 288.34 g/mol
Exact mass: 288.0949 Da
Density: 1.1001 g/mL (at 20 °C)
Melting point: below 25 °C
Boiling point: 126 °C
logP: 4.88Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 7

Identifiers

CAS number

26087-47-8

SMILES

CC(C)OP(=O)(OC(C)C)SCc1ccccc1

InChIKey

FCOAHACKGGIURQ-UHFFFAOYSA-N

InChI

InChI=1S/C13H21O3PS/c1-11(2)15-17(14,16-12(3)4)18-10-13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3

Weigh it out

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

Names and synonyms

16 names · show all

Phosphorothioic acid, O,O-bis(1-methylethyl) S-(phenylmethyl) ester
Phosphorothioic acid, S-benzyl O,O-diisopropyl ester
Kitazin P
S-Benzyl O,O-diisopropyl phosphorothiolate
S-Benzyl O,O-diisopropyl phosphorothioate
O,O-Diisopropyl S-benzyl thiophosphate
IBP
O,O-Diisopropyl S-benzyl phosphorothioate
S-Benzyl O,O-diisopropyl thiophosphate
O,O-Diisopropyl S-benzyl phosphorothiolate
Kitazin L
Ricid II
Ricid P
Isokitazine
Kitazin 17
Tagkit

Work with Iprobenfos

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Benzyl methyl sulfide766-92-737 % similar Dibenzyl disulfide150-60-736 % similar Dibenzyl sulfide538-74-936 % similar (2-Methoxyethyl)benzene3558-60-936 % similar Benzyl methyl disulfide699-10-535 % similar Dimethyl P-(phenylmethyl)phosphonate773-47-735 % similar Phenylacetaldehyde dimethyl acetal101-48-434 % similar Diethyl P-(phenylmethyl)phosphonate1080-32-634 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook