Basic information
- CAS
41232-34-2- Standard SMILES
CC1(O)c2cccc(Sc3ccccc3)c2C(C)(O)c2c(Sc3ccccc3)cccc21- InChIKey
MFAPZHYEVOQQNL-UHFFFAOYSA-N- Molecular formula
- C28H24O2S2
- Average molar mass
- 456.6 g/mol
- Monoisotopic mass
- 456.12177235
Names & identifiers
- Preferred name
- 9,10-Dimethyl-1,8-bis(phenylsulfanyl)anthracene-9,10-diol
- IUPAC
- 9,10-dimethyl-1,8-bis(phenylsulfanyl)anthracene-9,10-diol
Names & synonyms
41232-34-29,10-dimethyl-1,8-bis(phenylsulfanyl)anthracene-9,10-diolNSC268224DTXSID70313235NSC-2682249,10-Dimethyl-1,8-bis(phenylsulfanyl)-9,10-dihydroanthracene-9,10-diol
Database identifiers
- CAS
41232-34-2- PubChem CID
- 320409
- DTXSID
DTXSID70313235
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 91.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 581
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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