4-Phenyl-5,5,5-tris(phenylsulfanyl)pentan-2-one
Basic information
- CAS
56003-68-0- Standard SMILES
CC(=O)CC(c1ccccc1)C(Sc1ccccc1)(Sc1ccccc1)Sc1ccccc1- InChIKey
KQHUEKLRQQYRMB-UHFFFAOYSA-N- Molecular formula
- C29H26OS3
- Average molar mass
- 486.7 g/mol
- Monoisotopic mass
- 486.11457897
Names & identifiers
- Preferred name
- 4-Phenyl-5,5,5-tris(phenylsulfanyl)pentan-2-one
- IUPAC
- 4-phenyl-5,5,5-tris(phenylsulfanyl)pentan-2-one
Names & synonyms
4-phenyl-5,5,5-tris(phenylsulfanyl)pentan-2-oneNSC31053456003-68-0DTXSID20317081NSC-310534DS-005494
Database identifiers
- CAS
56003-68-0- PubChem CID
- 329231
- DTXSID
DTXSID20317081
Properties
Computed structural properties
- XLogP
- 8.3
- Topological polar surface area
- 93 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 519
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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