1-[2-(Methylsulfanyl)phenyl]-2-(triphenyl-lambda~5~-phosphanylidene)propan-1-one
Basic information
- CAS
113195-37-2- Standard SMILES
CSc1ccccc1C(=O)C(C)=P(c1ccccc1)(c1ccccc1)c1ccccc1- InChIKey
LQQCAAFWTMPUMB-UHFFFAOYSA-N- Molecular formula
- C28H25OPS
- Average molar mass
- 440.5 g/mol
- Monoisotopic mass
- 440.13637359
Names & identifiers
- Preferred name
- 1-[2-(Methylsulfanyl)phenyl]-2-(triphenyl-lambda~5~-phosphanylidene)propan-1-one
- IUPAC
- 1-(2-methylsulfanylphenyl)-2-(triphenyl-λ5-phosphanylidene)propan-1-one
Names & synonyms
113195-37-2DTXSID305514941-[2-(Methylsulfanyl)phenyl]-2-(triphenyl-lambda~5~-phosphanylidene)propan-1-one
Database identifiers
- CAS
113195-37-2- PubChem CID
- 13865005
- DTXSID
DTXSID30551494- Nikkaji
- J603.956A
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 585
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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