Ethyl nonyl phosphorothioate
Basic information
- CAS
995-55-1- Standard SMILES
CCCCCCCCCSP(=O)(OCC)OCC- InChIKey
WFSDONNDPVGOGJ-UHFFFAOYSA-N- Molecular formula
- C13H29O3PS
- Average molar mass
- 296.41 g/mol
- Monoisotopic mass
- 296.15750295
Names & identifiers
- Preferred name
- Ethyl nonyl phosphorothioate
- IUPAC
- 1-diethoxyphosphorylsulfanylnonane
Names & synonyms
Ethyl nonyl phosphorothioate995-55-1RefChem:1085078BRN 1818941Phosphorothioic acid, O,O-diethyl S-nonyl esterDTXSID50912684O,O-Diethyl S-nonyl phosphorothioate
Database identifiers
- CAS
995-55-1- PubChem CID
- 120946
- DTXSID
DTXSID50912684
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 13
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 214
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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