Basic information
- CAS
17963-69-8- Standard SMILES
CCOP(=S)(Oc1ccc(C#N)cc1)c1ccc(C)cc1- InChIKey
XFKKPERTAQYQGY-UHFFFAOYSA-N- Molecular formula
- C16H16NO2PS
- Average molar mass
- 317.3 g/mol
- Monoisotopic mass
- 317.06393692
Names & identifiers
- Preferred name
- Phosphonothioic acid, p-tolyl-, O-ethyl ester, O-ester with p-hydroxybenzonitrile
- IUPAC
- 4-[ethoxy-(4-methylphenyl)phosphinothioyl]oxybenzonitrile
Names & synonyms
17963-69-8Phosphonothioic acid, p-tolyl-, O-ethyl ester, O-ester with p-hydroxybenzonitrileRefChem:1095274BRN 2948145p-Tolylphosphonothioic acid O-ethyl ester O-ester with p-hydroxybenzonitrileDTXSID20939247O-(4-Cyanophenyl) O-ethyl (4-methylphenyl)phosphonothioate
Database identifiers
- CAS
17963-69-8- PubChem CID
- 205447
- DTXSID
DTXSID20939247
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 74.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 417
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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