Basic information
- CAS
37710-64-8- Standard SMILES
Cc1ccc(Sc2cccc3c2C(=O)c2c(Sc4ccc(C)cc4)cccc2C3=O)cc1- InChIKey
QSAMAACSVSBFKT-UHFFFAOYSA-N- Molecular formula
- C28H20O2S2
- Average molar mass
- 452.6 g/mol
- Monoisotopic mass
- 452.09047222
Names & identifiers
- Preferred name
- 1,8-Bis[(4-methylphenyl)sulfanyl]anthracene-9,10-dione
- IUPAC
- 1,8-bis[(4-methylphenyl)sulfanyl]anthracene-9,10-dione
Names & synonyms
37710-64-81,8-bis[(4-methylphenyl)sulfanyl]anthracene-9,10-dioneNSC156514DTXSID20958751NSC-156514
Database identifiers
- CAS
37710-64-8- PubChem CID
- 291330
- DTXSID
DTXSID20958751
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 623
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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