Basic information
- CAS
3869-17-8- Standard SMILES
CCOP(=S)(Oc1ccc(Cl)cc1)c1ccccc1- InChIKey
GSGOQDPPIBWXOX-UHFFFAOYSA-N- Molecular formula
- C14H14ClO2PS
- Average molar mass
- 312.8 g/mol
- Monoisotopic mass
- 312.0140656
Names & identifiers
- Preferred name
- O-(4-Chlorophenyl) O-ethyl phenylphosphonothioate
- IUPAC
- (4-chlorophenoxy)-ethoxy-phenyl-sulfanylidene-λ5-phosphane
Names & synonyms
3869-17-8NSC508628O-(4-Chlorophenyl) O-ethyl phenylphosphonothioateDTXSID00331326NSC-508628
Database identifiers
- CAS
3869-17-8- PubChem CID
- 437286
- DTXSID
DTXSID00331326
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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