Phosphorothioic acid, O,O-bis(1-methylethyl) O-(6-butoxy-3-pyridazinyl) ester
Basic information
- CAS
53605-07-5- Standard SMILES
CCCCOc1ccc(OP(=S)(OC(C)C)OC(C)C)nn1- InChIKey
XJTNBMMDMLMENP-UHFFFAOYSA-N- Molecular formula
- C14H25N2O4PS
- Average molar mass
- 348.4 g/mol
- Monoisotopic mass
- 348.12726545
Names & identifiers
- Preferred name
- Phosphorothioic acid, O,O-bis(1-methylethyl) O-(6-butoxy-3-pyridazinyl) ester
- IUPAC
- (6-butoxypyridazin-3-yl)oxy-di(propan-2-yloxy)-sulfanylidene-λ5-phosphane
Names & synonyms
BRN 0825897Phosphorothioic acid, O,O-bis(1-methylethyl) O-(6-butoxy-3-pyridazinyl) ester53605-07-5DTXSID80201831O,O-Bis(1-methylethyl) O-(6-butoxy-3-pyridazinyl) phosphorothioateRefChem:371241DTXCID10124322SCHEMBL11679562O-(6-Butoxypyridazin-3-yl) O,O-di(propan-2-yl) phosphorothioate
Database identifiers
- CAS
53605-07-5- PubChem CID
- 198301
- DTXSID
DTXSID80201831
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 344
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Compound notes
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