Basic information
- CAS
72039-19-1- Standard SMILES
CCOP(=S)(OCC)Oc1cnn(C)c(=S)c1Cl- InChIKey
CKDFGHBBSMCKDG-UHFFFAOYSA-N- Molecular formula
- C9H14ClN2O3PS2
- Average molar mass
- 328.8 g/mol
- Monoisotopic mass
- 327.9871994
Names & identifiers
- Preferred name
- O-(5-Chloro-1-methyl-6-sulfanylidene-1,6-dihydropyridazin-4-yl) O,O-diethyl phosphorothioate
- IUPAC
- 4-chloro-5-diethoxyphosphinothioyloxy-2-methylpyridazine-3-thione
Names & synonyms
72039-19-1NSC334652DTXSID80318736NSC-334652O-(5-Chloro-1-methyl-6-sulfanylidene-1,6-dihydropyridazin-4-yl) O,O-diethyl phosphorothioate
Database identifiers
- CAS
72039-19-1- PubChem CID
- 333473
- DTXSID
DTXSID80318736
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 432
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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