Basic information
- CAS
31147-33-8- Standard SMILES
CCOP(=O)(OCC)SC[C@@H]1CCCN2CCCCC12- InChIKey
FHGULCRLDPLKAH-LSLKUGRBSA-N- Molecular formula
- C14H28NO3PS
- Average molar mass
- 321.42 g/mol
- Monoisotopic mass
- 321.15275193
Names & identifiers
- Preferred name
- Phosphorothioic acid, O,O-diethyl S-(((1R,9aR)-octahydro-2H-quinolizin-1-yl)methyl) ester
- IUPAC
- (1R)-1-(diethoxyphosphorylsulfanylmethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
Names & synonyms
31147-33-8DTXSID90953238Phosphorothioic acid, O,O-diethyl S-(((1R,9aR)-octahydro-2H-quinolizin-1-yl)methyl) esterO,O-Diethyl S-[(octahydro-2H-quinolizin-1-yl)methyl] phosphorothioateO,O-Diethyl S-{[(1R)-octahydro-2H-quinolizin-1-yl]methyl} phosphorothioate
Database identifiers
- CAS
31147-33-8- PubChem CID
- 186142
- DTXSID
DTXSID90953238
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 64.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 332
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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