Basic information
- CAS
5836-40-8- Standard SMILES
COP(=S)(OC)Oc1ccc(=O)[nH]n1- InChIKey
WNTPNXGSZHIHSQ-UHFFFAOYSA-N- Molecular formula
- C6H9N2O4PS
- Average molar mass
- 236.19 g/mol
- Monoisotopic mass
- 236.00206494
Names & identifiers
- Preferred name
- Phosphorothioic acid, O,O-dimethyl ester, O-ester with 6-hydroxy-3-(2H)-pyridazinone
- IUPAC
- 3-dimethoxyphosphinothioyloxy-1H-pyridazin-6-one
- English name
- O-(1,6-Dihydro-6-oxopyridazin-3-yl)O,O-dimethyl=phosphorothioate
- Molecular formula
- C6H9N2O4PS
- Molecular weight
- 236.19
Names & synonyms
American cyanamid 12,433BRN 0018225ENT 23,9675836-40-8Phosphorothioic acid, O,O-dimethyl ester, O-ester with 6-hydroxy-3-(2H)-pyridazinoneO,O-Dimethyl O-(6-3(2H)-pyridazinonyl) phosphorothioateDTXSID10207083O,O-Dimethyl O-(2,3-dihydro-3-oxo-6-pyridazinyl)phosphorothioateO-(1,6-Dihydro-6-oxopyridazin-3-yl) O,O-dimethyl phosphorothioate4-25-00-00027 (Beilstein Handbook Reference)O,O-Dimethylphosphorothioate, O-ester with 6-hydroxy-3(2H)-pyridazinone3(2H)-Pyridazinone, 6-hydroxy-, O-ester with O,O-dimethyl phosphorothioate
Show more names
ENT-23967American Cyanamid-12433Phosphorothioic acid, O-(1,6-dihydro-6-oxo-3-pyridazinyl) O,O-dimethyl ester
RefChem:371335DTXCID10129574o,o-dimethyl o-(6-oxo-1,6-dihydropyridazin-3-yl) phosphorothioateO-(1,6-Dihydro-6-oxopyridazin-3-yl)O,O-dimethyl=phosphorothioate
Database identifiers
- CAS
5836-40-8- PubChem CID
- 79917
- DTXSID
DTXSID10207083- Nikkaji
- J53.835C
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 333
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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