2-[(Naphthalen-2-yl)sulfanyl]naphthalene-1,4-dione
Basic information
- CAS
67304-40-9- Standard SMILES
O=C1C=C(Sc2ccc3ccccc3c2)C(=O)c2ccccc21- InChIKey
XHVMRUYTTMKMER-UHFFFAOYSA-N- Molecular formula
- C20H12O2S
- Average molar mass
- 316.4 g/mol
- Monoisotopic mass
- 316.05580079
Names & identifiers
- Preferred name
- 2-[(Naphthalen-2-yl)sulfanyl]naphthalene-1,4-dione
- IUPAC
- 2-naphthalen-2-ylsulfanylnaphthalene-1,4-dione
Names & synonyms
67304-40-9NSC2414922-[(Naphthalen-2-yl)sulfanyl]naphthalene-1,4-dioneDTXSID80311343NSC-241492
Database identifiers
- CAS
67304-40-9- PubChem CID
- 315741
- DTXSID
DTXSID80311343
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 524
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Compound notes
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