Basic information
- Standard SMILES
CCOP(=S)(OCC)ON=C1C=CC(=C(C#N)c2ccccc2)C=C1- InChIKey
BAMKKYCPSSMHPU-UHFFFAOYSA-N- Molecular formula
- C18H19N2O3PS
- Average molar mass
- 374.4 g/mol
Names & identifiers
- Preferred name
- (4-Diethoxythiophosphoryloxyimino-cyclohexa-2,5-dienylidene)-phenyl-acetonitrile
- IUPAC
- 2-(4-diethoxyphosphinothioyloxyiminocyclohexa-2,5-dien-1-ylidene)-2-phenylacetonitrile
Names & synonyms
SCHEMBL7680369BAMKKYCPSSMHPU-UHFFFAOYSA-N(4-Diethoxythiophosphoryloxyimino-cyclohexa-2,5-dienylidene)-phenyl-acetonitrile
Database identifiers
- PubChem CID
- 53671907
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 654
Related reactions
2 records
Compound notes
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