Basic information
- CAS
13354-40-0- Standard SMILES
O=C1c2ccccc2C(=O)c2cc(Sc3ccccc3)ccc21- InChIKey
UHLJBBJJVKIIOY-UHFFFAOYSA-N- Molecular formula
- C20H12O2S
- Average molar mass
- 316.4 g/mol
- Monoisotopic mass
- 316.05580079
Names & identifiers
- Preferred name
- Anthraquinone, 2-(phenylthio)-
- IUPAC
- 2-phenylsulfanylanthracene-9,10-dione
- English name
- 2-(Phenylthio)anthraquinone
- Molecular formula
- C20H12O2S
- Molecular weight
- 316.37
Names & synonyms
ANTHRAQUINONE, 2-(PHENYLTHIO)-13354-40-02-ThiophenylanthraquinoneBRN 2508425DTXSID101581624-08-00-02600 (Beilstein Handbook Reference)RefChem:319865DTXCID10806532-(phenylthio)anthracene-9,10-dione2-phenylsulfanylanthracene-9,10-dioneCBMicro_020784SCHEMBL1038715
Show more names
2-(Phenylthio)anthraquinone9,10-Anthracenedione, 2-(phenylthio)-
CCG-85292-(phenylsulfanyl)anthracene-9,10-dioneBIM-0020773.P001
Database identifiers
- CAS
13354-40-0- PubChem CID
- 25906
- DTXSID
DTXSID10158162- Nikkaji
- J55.281J
Properties
Computed structural properties
- XLogP
- 4.9
- 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
- 468
Physicochemical properties
- Melting point
- 154 °C · 154 °C
- Boiling point
- 533.5 · 533.5±39.0 °C(Predicted)
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…