O-Ethyl O-(5-(ethylthio)-1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl) ethylphosphonothioate
Basic information
- CAS
37840-80-5- Standard SMILES
CCOP(=S)(CC)Oc1cnn(C)c(=O)c1SCC- InChIKey
PHWUXNDGIIEIJB-UHFFFAOYSA-N- Molecular formula
- C11H19N2O3PS2
- Average molar mass
- 322.4 g/mol
- Monoisotopic mass
- 322.05747182
Names & identifiers
- Preferred name
- O-Ethyl O-(5-(ethylthio)-1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl) ethylphosphonothioate
- IUPAC
- 5-[ethoxy(ethyl)phosphinothioyl]oxy-4-ethylsulfanyl-2-methylpyridazin-3-one
Names & synonyms
37840-80-5O-Ethyl O-(5-(ethylthio)-1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl) ethylphosphonothioateNSC334651NSC 334651NSC-3346518TF5UQG3SG5-[ethoxy(ethyl)phosphinothioyl]oxy-4-ethylsulfanyl-2-methyl-pyridazin-3-onePhosphonothioic acid, ethyl-, O-ethyl O-[5-(ethylthio)-1,6-dihydro-1-methyl-6-oxo-4-pyridazinyl] ester
Database identifiers
- CAS
37840-80-5- PubChem CID
- 333472
- UNII
- 8TF5UQG3SG
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 451
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Compound notes
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