Basic information
- CAS
22439-37-8- Standard SMILES
CCOP(=O)(OCC)SCn1nc(Cl)ccc1=O- InChIKey
QUWDLRYYZKFAFW-UHFFFAOYSA-N- Molecular formula
- C9H14ClN2O4PS
- Average molar mass
- 312.71 g/mol
- Monoisotopic mass
- 312.0100428
Names & identifiers
- Preferred name
- Phosphorothioic acid, O,O-diethyl ester, S-ester with 6-chloro-2-(mercaptomethyl)-3(2H)-pyridazinone
- IUPAC
- 6-chloro-2-(diethoxyphosphorylsulfanylmethyl)pyridazin-3-one
Names & synonyms
BRN 067162222439-37-8O,O-Diethyl phosphorothioate S-ester with 6-chloro-2-(mercaptomethyl)-3(2H)-pyridazinonePhosphorothioic acid, O,O-diethyl ester, S-ester with 6-chloro-2-(mercaptomethyl)-3(2H)-pyridazinoneRefChem:371266s-[(3-chloro-6-oxopyridazin-1(6h)-yl)methyl] o,o-diethyl phosphorothioateDTXSID00945124
Database identifiers
- CAS
22439-37-8- PubChem CID
- 211152
- DTXSID
DTXSID00945124
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 93.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 405
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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