Phosphorothioic acid, O,O-diethyl O-(6-(dodecyloxy)-3-pyridazinyl) ester
Basic information
- CAS
53605-06-4- Standard SMILES
CCCCCCCCCCCCOc1ccc(OP(=S)(OCC)OCC)nn1- InChIKey
MOJMQRGOZHHYEM-UHFFFAOYSA-N- Molecular formula
- C20H37N2O4PS
- Average molar mass
- 432.6 g/mol
- Monoisotopic mass
- 432.22116584
Names & identifiers
- Preferred name
- Phosphorothioic acid, O,O-diethyl O-(6-(dodecyloxy)-3-pyridazinyl) ester
- IUPAC
- (6-dodecoxypyridazin-3-yl)oxy-diethoxy-sulfanylidene-λ5-phosphane
Names & synonyms
BRN 0844619Phosphorothioic acid, O,O-diethyl O-(6-(dodecyloxy)-3-pyridazinyl) ester53605-06-4O,O-Diethyl O-(6-(dodecyloxy)-3-pyridazinyl) phosphorothioateDTXSID20201830RefChem:371291DTXCID50124321O-[6-(Dodecyloxy)pyridazin-3-yl] O,O-diethyl phosphorothioate
Database identifiers
- CAS
53605-06-4- PubChem CID
- 198300
- DTXSID
DTXSID20201830
Properties
Computed structural properties
- XLogP
- 7.9
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 18
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 408
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Related reactions
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Compound notes
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