4-(4-Phenylphenyl)-1,3-dithiol-2-one
Basic information
- CAS
42574-13-0- Standard SMILES
O=c1scc(-c2ccc(-c3ccccc3)cc2)s1- InChIKey
IVEQYTDPKWWQOO-UHFFFAOYSA-N- Molecular formula
- C15H10OS2
- Average molar mass
- 270.4 g/mol
- Monoisotopic mass
- 270.01730729
Names & identifiers
- Preferred name
- 4-(4-Phenylphenyl)-1,3-dithiol-2-one
- IUPAC
- 4-(4-phenylphenyl)-1,3-dithiol-2-one
Names & synonyms
4-(4-phenylphenyl)-1,3-dithiol-2-one42574-13-0NSC208888DTXSID50308765NSC-208888DS-0145584-([1,1'-Biphenyl]-4-yl)-2H-1,3-dithiol-2-one
Database identifiers
- CAS
42574-13-0- PubChem CID
- 308199
- DTXSID
DTXSID50308765
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 67.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 336
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Compound notes
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