O-(4-Cyanophenyl) O-phenyl methylphosphonothioate
Basic information
- CAS
5954-90-5- Standard SMILES
CP(=S)(Oc1ccccc1)Oc1ccc(C#N)cc1- InChIKey
WVLHBTMVPFIQTG-UHFFFAOYSA-N- Molecular formula
- C14H12NO2PS
- Average molar mass
- 289.29 g/mol
- Monoisotopic mass
- 289.0326368
Names & identifiers
- Preferred name
- O-(4-Cyanophenyl) O-phenyl methylphosphonothioate
- IUPAC
- 4-[methyl(phenoxy)phosphinothioyl]oxybenzonitrile
- English name
- Methylphosphonothioic acid O-(4-cyanophenyl)O-phenyl ester
- Molecular formula
- C14H12NO2PS
- Molecular weight
- 289.29
Names & synonyms
O-(4-Cyanophenyl) O-phenyl methylphosphonothioate5954-90-5DTXSID90974948RefChem:1093569DTXCID601402364Monsanto CP-40507CP-40507ENT 25,870BRN 2743721AI3-25870Phosphonothioic acid, methyl-, O-(4-cyanophenyl) O-phenyl esterPhosphonothioic acid, methyl-, O-phenyl ester, O-ester with p-hydroxybenzonitrile
Show more names
Phosphonothioic acid, methyl-, O-(4-cyanophenyl) O-phenyl ester (9CI)
Methylphosphonothioic acid O-(4-cyanophenyl)o-phenyl ester
Database identifiers
- CAS
5954-90-5- PubChem CID
- 80054
- DTXSID
DTXSID90974948- Nikkaji
- J14.604H
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 74.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 378
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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