Basic information
- CAS
50728-05-7- Standard SMILES
CCCCSP(=O)(CC)OCC- InChIKey
OKTWDYLNJKEOAM-UHFFFAOYSA-N- Molecular formula
- C8H19O2PS
- Average molar mass
- 210.28 g/mol
- Monoisotopic mass
- 210.08433802
Names & identifiers
- Preferred name
- s-Butyl o-ethyl ethylphosphonothioate
- IUPAC
- 1-[ethoxy(ethyl)phosphoryl]sulfanylbutane
Names & synonyms
50728-05-7s-butyl o-ethyl ethylphosphonothioateNSC133041DTXSID70299823NSC-133041
Database identifiers
- CAS
50728-05-7- PubChem CID
- 280856
- DTXSID
DTXSID70299823
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 150
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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