Phosphonothioic acid, phenyl-, O-ethyl ester, O-ester with o-hydroxybenzonitrile
Basic information
- CAS
17313-31-4- Standard SMILES
CCOP(=S)(Oc1ccccc1C#N)c1ccccc1- InChIKey
JRBNVSUWXMKKRT-UHFFFAOYSA-N- Molecular formula
- C15H14NO2PS
- Average molar mass
- 303.3 g/mol
- Monoisotopic mass
- 303.04828686
Names & identifiers
- Preferred name
- Phosphonothioic acid, phenyl-, O-ethyl ester, O-ester with o-hydroxybenzonitrile
- IUPAC
- 2-[ethoxy(phenyl)phosphinothioyl]oxybenzonitrile
Names & synonyms
17313-31-4Phosphonothioic acid, phenyl-, O-ethyl ester, O-ester with o-hydroxybenzonitrileRefChem:1095283BRN 2947063Phenylphosphonothioic O-ethyl ester O-ester with o-hydroxybenzonitrileDTXSID90938328O-(2-cyanophenyl) O-ethyl phenylphosphonothioate
Database identifiers
- CAS
17313-31-4- PubChem CID
- 205071
- DTXSID
DTXSID90938328
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 74.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 400
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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