O-Ethyl O-(5-methoxy-1-methyl-6-oxo-1,6-dihydropyridazin-4-yl) ethylphosphonothioate
Basic information
- CAS
37840-66-7- Standard SMILES
CCOP(=S)(CC)Oc1cnn(C)c(=O)c1OC- InChIKey
NBFKWYXOHYDUHN-UHFFFAOYSA-N- Molecular formula
- C10H17N2O4PS
- Average molar mass
- 292.29 g/mol
- Monoisotopic mass
- 292.0646652
Names & identifiers
- Preferred name
- O-Ethyl O-(5-methoxy-1-methyl-6-oxo-1,6-dihydropyridazin-4-yl) ethylphosphonothioate
- IUPAC
- 5-[ethoxy(ethyl)phosphinothioyl]oxy-4-methoxy-2-methylpyridazin-3-one
- English name
- 5-(ethoxy-ethyl-phosphinothioyl)oxy-4-methoxy-2-methyl-pyridazin-3-one
- Molecular formula
- C10H17N2O4PS
- Molecular weight
- 292.29
Names & synonyms
37840-66-7DTXSID20958872O-Ethyl O-(5-methoxy-1-methyl-6-oxo-1,6-dihydropyridazin-4-yl) ethylphosphonothioateRefChem:1093660DTXCID401386764Phosphonothioic acid, ethyl-, O-(1,6-dihydro-5-methoxy-1-methyl-6-oxo-4- pyridazinyl) O-ethyl ester5-(ethoxy-ethyl-phosphinothioyl)oxy-4-methoxy-2-methyl-pyridazin-3-oneDB-263349Phosphonothioic acid, ethyl-, O-(1,6-dihydro-5-methoxy-1-methyl-6-oxo-4-pyridazinyl) O-ethyl ester (9CI)
Database identifiers
- CAS
37840-66-7- PubChem CID
- 216880
- DTXSID
DTXSID20958872
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 92.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 436
Physicochemical properties
- Boiling point
- 354.5 · 354.5±52.0 °C(Predicted)
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- pka
- -1.08 · -1.08±0.20(Predicted)
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Compound notes
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