o-(4-Cyanophenyl) o-ethyl o-phenyl phosphorothioate
Basic information
- CAS
34460-47-4- Standard SMILES
CCOP(=S)(Oc1ccccc1)Oc1ccc(C#N)cc1- InChIKey
LNKKMWUOZXBYEM-UHFFFAOYSA-N- Molecular formula
- C15H14NO3PS
- Average molar mass
- 319.3 g/mol
- Monoisotopic mass
- 319.04320148
Names & identifiers
- Preferred name
- o-(4-Cyanophenyl) o-ethyl o-phenyl phosphorothioate
- IUPAC
- 4-[ethoxy(phenoxy)phosphinothioyl]oxybenzonitrile
Names & synonyms
34460-47-4o-(4-cyanophenyl) o-ethyl o-phenyl phosphorothioateSCHEMBL986645DTXSID90955999Phosphorothioic acid, 4-cyanophenyl ethyl phenyl ester
Database identifiers
- CAS
34460-47-4- PubChem CID
- 190328
- DTXSID
DTXSID90955999
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 408
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…