Phosphorothioic acid, O,O-bis(1-methylethyl) O-(6-(2-propenyloxy)-3-pyridazinyl) ester
Basic information
- CAS
53605-30-4- Standard SMILES
C=CCOc1ccc(OP(=S)(OC(C)C)OC(C)C)nn1- InChIKey
LBBMUZVUHRNZDE-UHFFFAOYSA-N- Molecular formula
- C13H21N2O4PS
- Average molar mass
- 332.36 g/mol
- Monoisotopic mass
- 332.09596533
Names & identifiers
- Preferred name
- Phosphorothioic acid, O,O-bis(1-methylethyl) O-(6-(2-propenyloxy)-3-pyridazinyl) ester
- IUPAC
- di(propan-2-yloxy)-(6-prop-2-enoxypyridazin-3-yl)oxy-sulfanylidene-λ5-phosphane
Names & synonyms
BRN 0826183Phosphorothioic acid, O,O-bis(1-methylethyl) O-(6-(2-propenyloxy)-3-pyridazinyl) ester53605-30-4DTXSID20201850O,O-Bis(1-methylethyl) O-(6-(2-propenyloxy)-3-pyridazinyl) phosphorothioateRefChem:371237DTXCID50124341O,O-Di(propan-2-yl) O-{6-[(prop-2-en-1-yl)oxy]pyridazin-3-yl} phosphorothioate
Database identifiers
- CAS
53605-30-4- PubChem CID
- 198317
- DTXSID
DTXSID20201850
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 354
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…