Basic information
- CAS
16672-99-4- Standard SMILES
O=C1c2ccccc2C(=O)c2c(Sc3ccccc3)ccc(O)c21- InChIKey
UHZBAABNQZKFQO-UHFFFAOYSA-N- Molecular formula
- C20H12O3S
- Average molar mass
- 332.4 g/mol
- Monoisotopic mass
- 332.05071541
Names & identifiers
- Preferred name
- Anthraquinone, 1-hydroxy-4-(mercaptophenyl)-
- IUPAC
- 1-hydroxy-4-phenylsulfanylanthracene-9,10-dione
- English name
- 1-Hydroxy-4-(phenylthio)anthraquinone
- Molecular formula
- C20H12O3S
- Molecular weight
- 332.37
Names & synonyms
16672-99-4Anthraquinone, 1-hydroxy-4-(mercaptophenyl)-RefChem:10770491-Hydroxy-4-thiophenylanthraquinone1-Hydroxy-4-(phenylthio)anthraquinone1-hydroxy-4-phenylsulfanylanthracene-9,10-dione1-hydroxy-4-(phenylsulfanyl)anthracene-9,10-dioneDTXSID709372339,10-Anthracenedione, 1-hydroxy-4-(phenylthio)-
Database identifiers
- CAS
16672-99-4- PubChem CID
- 85540
- DTXSID
DTXSID70937233- Nikkaji
- J55.279H
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 79.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 499
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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