Azinphos-ethyloxone
Basic information
- CAS
39923-25-6- Standard SMILES
CCOP(=O)(OCC)SCn1nnc2ccccc2c1=O- InChIKey
ZADDJRKYRQDYKM-UHFFFAOYSA-N- Molecular formula
- C12H16N3O4PS
- Average molar mass
- 329.31 g/mol
- Monoisotopic mass
- 329.05991417
Names & identifiers
- Preferred name
- Azinphos-ethyloxone
- IUPAC
- 3-(diethoxyphosphorylsulfanylmethyl)-1,2,3-benzotriazin-4-one
- English name
- Phosphorothioic acid O,O-diethyl S-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl] ester
- Molecular formula
- C12H16N3O4PS
- Molecular weight
- 329.31
Names & synonyms
Ethyl gutoxonOxoazinphos-ethylAzinphos-ethyloxoneAI3-25611Phosphorothioic acid, O,O-diethyl S-((4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl) esterDTXSID20192971Phosphorothioic acid, O,O-diethyl S-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl] esterRefChem:320393DTXCID6011546239923-25-6Azinphos - ethyloxoneThiophosphoric acid O,O-diethyl S-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl] ester
Show more names
Phosphorothioic acid O,O-diethyl S-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl] ester
Database identifiers
- CAS
39923-25-6- PubChem CID
- 94501
- DTXSID
DTXSID20192971- Nikkaji
- J228.110D
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 438
Experimental & physicochemical properties
LogP1.63
Physicochemical properties
- Boiling point
- 437.6 · 437.6±55.0 °C(Predicted)
- Density
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- pka
- -2.59 · -2.59±0.20(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…