Basic information
- CAS
13354-35-3- Standard SMILES
O=C1c2ccccc2C(=O)c2c(Sc3ccccc3)cccc21- InChIKey
FPRGJFFNVANESG-UHFFFAOYSA-N- Molecular formula
- C20H12O2S
- Average molar mass
- 316.4 g/mol
- Monoisotopic mass
- 316.05580079
Names & identifiers
- Preferred name
- 9,10-Anthracenedione, 1-(phenylthio)-
- IUPAC
- 1-phenylsulfanylanthracene-9,10-dione
- English name
- 1-(phenylthio)anthraquinone
- Molecular formula
- C20H12O2S
- Molecular weight
- 316.37
Names & synonyms
Anthraquinone, 1-thiophenyl9,10-Anthracenedione, 1-(phenylthio)-1-Phenylthio-9,10-anthracenedione1-ThiophenylanthraquinoneANTHRAQUINONE, 1-(PHENYLTHIO)-EINECS 236-404-0NSC 156513BRN 1993478DTXSID70654194-08-00-02592 (Beilstein Handbook Reference)RefChem:548634DTXCID4034154
Show more names
1-(Phenylthio)anthraquinone13354-35-31-phenylsulfanylanthracene-9,10-dioneML7TL58VPP1-(Phenylthio)-9,10-anthracenedione1-(phenylthio)anthracene-9,10-dioneNSC-1565131-(phenylsulfanyl)anthracene-9,10-dione
Database identifiers
- CAS
13354-35-3- PubChem CID
- 25905
- DTXSID
DTXSID7065419- UNII
- ML7TL58VPP
- EC Number
- 236-404-0
- Nikkaji
- J52.248A
Properties
Computed structural properties
- XLogP
- 5.4
- 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
- 185 °C · 185 °C
- Boiling point
- 425.8 °C · 425.8°C (rough estimate)
- Density
- 1.2296 · 1.2296 (rough estimate)
- refractive index
- 1.52 · 1.5200 (estimate)
- FDA UNII
- 7 TL58VPP · ML7TL58VPP
- EPA Substance Registry System
- 9 · 9,10-Anthracenedione, 1-(phenylthio)- (13354-35-3)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information9,10-Anthracenedione, 1-(phenylthio)-: ACTIVE
Suppliers1 total
SPECS[email protected]
Related reactions
1 records
Compound notes
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