2-Phenyl-1-(2-thienyl)-1,4-pentanedione
Basic information
- CAS
59086-29-2- Standard SMILES
CC(=O)CC(C(=O)c1cccs1)c1ccccc1- InChIKey
GNZWRKNVSDGBTE-UHFFFAOYSA-N- Molecular formula
- C15H14O2S
- Average molar mass
- 258.3 g/mol
- Monoisotopic mass
- 258.07145086
Names & identifiers
- Preferred name
- 2-Phenyl-1-(2-thienyl)-1,4-pentanedione
- IUPAC
- 2-phenyl-1-thiophen-2-ylpentane-1,4-dione
Names & synonyms
2-Phenyl-1-(2-thienyl)-1,4-pentanedioneSCHEMBL11266573DTXSID60127891159086-29-22-Phenyl-1-(thiophen-2-yl)pentane-1,4-dione
Database identifiers
- CAS
59086-29-2- PubChem CID
- 12257561
- DTXSID
DTXSID601278911
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 62.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 308
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Compound notes
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