O-Methyl S-2-diethylaminoethyl ethylphosphonothiolate
Basic information
- CAS
170800-77-8- Standard SMILES
CCN(CC)CCSP(=O)(CC)OC- InChIKey
MVKMTTUVZUUMGU-UHFFFAOYSA-N- Molecular formula
- C9H22NO2PS
- Average molar mass
- 239.32 g/mol
- Monoisotopic mass
- 239.11088712
Names & identifiers
- Preferred name
- O-Methyl S-2-diethylaminoethyl ethylphosphonothiolate
- IUPAC
- N,N-diethyl-2-[ethyl(methoxy)phosphoryl]sulfanylethanamine
Names & synonyms
O-Methyl S-2-diethylaminoethyl ethylphosphonothiolateDTXSID001367401o-Methyl S-(2-diethylaminoethyl) ethylphosphonothiolateS-[2-(Diethylamino)ethyl] o-methyl ethylphosphonothioateS-[2-(Diethylamino)ethyl] o-methyl ethylphosphonothioate #170800-77-8
Database identifiers
- CAS
170800-77-8- PubChem CID
- 559672
- DTXSID
DTXSID001367401- Nikkaji
- J2.804.811D
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 54.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 186
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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