2-(1,3-Dithiolan-2-ylidene)-1-phenyl-1,3-butanedione
Basic information
- CAS
74440-20-3- Standard SMILES
CC(=O)C(C(=O)c1ccccc1)=C1SCCS1- InChIKey
JZPYFWUDLGQTDS-UHFFFAOYSA-N- Molecular formula
- C13H12O2S2
- Average molar mass
- 264.4 g/mol
- Monoisotopic mass
- 264.02787197
Overview
has preventive effect on acute liver injury induced by CCl4 in rats
Names & identifiers
- Preferred name
- 2-(1,3-Dithiolan-2-ylidene)-1-phenyl-1,3-butanedione
- IUPAC
- 2-(1,3-dithiolan-2-ylidene)-1-phenylbutane-1,3-dione
- English name
- 2-(1,3-dithiolan-2-ylidene)-1-phenyl-1,3-butanedione
- Molecular formula
- C13H12O2S2
- Molecular weight
- 264.36
Names & synonyms
74440-20-32-(1,3-Dithiolan-2-ylidene)-1-phenyl-1,3-butanedioneKZ-1026DTXSID20225450RefChem:909027DTXCID201479412-(1,3-dithiolan-2-ylidene)-1-phenylbutane-1,3-dioneKZ 1026SCHEMBL10615478AKOS0160343141,3-Butanedione, 2-(1,3-dithiolan-2-ylidene)-1-phenyl-1-Phenyl-2-(1,3-dithiolane-2-ylidene)butane-1,3-dione
Database identifiers
- CAS
74440-20-3- PubChem CID
- 173283
- DTXSID
DTXSID20225450- Nikkaji
- J332.225D
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 346
Physicochemical properties
- Melting point
- 131 °C · 131 °C(Solv: ethanol (64-17-5))
- Boiling point
- 417.1 · 417.1±45.0 °C(Predicted)
- Density
- 1.304 · 1.304±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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