Basic information
- CAS
6322-77-6- Standard SMILES
Cc1ccc(SC2=CC(=O)C(Sc3ccc(C)cc3)=CC2=O)cc1- InChIKey
OXOSZIPBWQIBNL-UHFFFAOYSA-N- Molecular formula
- C20H16O2S2
- Average molar mass
- 352.5 g/mol
- Monoisotopic mass
- 352.0591721
Names & identifiers
- Preferred name
- 2,5-Bis[(4-methylphenyl)sulfanyl]cyclohexa-2,5-diene-1,4-dione
- IUPAC
- 2,5-bis[(4-methylphenyl)sulfanyl]cyclohexa-2,5-diene-1,4-dione
Names & synonyms
6322-77-62,5-bis[(4-methylphenyl)sulfanyl]cyclohexa-2,5-diene-1,4-dioneNSC32160DTXSID10283569NSC-32160
Database identifiers
- CAS
6322-77-6- PubChem CID
- 233552
- DTXSID
DTXSID10283569
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 498
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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