Basic information
- CAS
155786-93-9- Standard SMILES
N#CC(C(=S)NC(=O)c1ccccc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1- InChIKey
NGQLNYJGSCPBQM-UHFFFAOYSA-N- Molecular formula
- C28H21N2OPS
- Average molar mass
- 464.5 g/mol
- Monoisotopic mass
- 464.11122147
Names & identifiers
- Preferred name
- N-(2-Cyano-2-(triphenylphosphoranylidene)ethanethioyl)benzamide
- IUPAC
- N-[2-cyano-2-(triphenyl-λ5-phosphanylidene)ethanethioyl]benzamide
Names & synonyms
155786-93-9N-(2-Cyano-2-(triphenylphosphoranylidene)ethanethioyl)benzamideDTXSID30395113STK370933AKOS001019057AKOS002663114UPCMLD0ENAT0506-3786:001Z56812998T0506-3786(Z)-2-cyano-1-[(phenylcarbonyl)amino]-2-(triphenylphosphonio)ethenethiolateN-[2-Cyano-2-(triphenyl-lambda~5~-phosphanylidene)ethanethioyl]benzamide
Database identifiers
- CAS
155786-93-9- PubChem CID
- 3691420
- DTXSID
DTXSID30395113
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 85 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 736
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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