Phosphorothioic acid, O,O-dimethyl O-(6-(2-propenyloxy)-3-pyridazinyl) ester
Basic information
- CAS
53605-29-1- Standard SMILES
C=CCOc1ccc(OP(=S)(OC)OC)nn1- InChIKey
KABSKRSNPINBNF-UHFFFAOYSA-N- Molecular formula
- C9H13N2O4PS
- Average molar mass
- 276.25 g/mol
- Monoisotopic mass
- 276.03336507
Names & identifiers
- Preferred name
- Phosphorothioic acid, O,O-dimethyl O-(6-(2-propenyloxy)-3-pyridazinyl) ester
- IUPAC
- dimethoxy-(6-prop-2-enoxypyridazin-3-yl)oxy-sulfanylidene-λ5-phosphane
Names & synonyms
BRN 080475553605-29-1O,O-Dimethyl O-(6-(2-propenyloxy)-3-pyridazinyl) phosphorothioatePhosphorothioic acid, O,O-dimethyl O-(6-(2-propenyloxy)-3-pyridazinyl) esterRefChem:371363DTXSID30968381O,O-Dimethyl O-{6-[(prop-2-en-1-yl)oxy]pyridazin-3-yl} phosphorothioate
Database identifiers
- CAS
53605-29-1- PubChem CID
- 198316
- DTXSID
DTXSID30968381
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 284
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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