4,4'-Bis(4-aminophenylthio)benzophenone
Basic information
- CAS
29654-51-1- Standard SMILES
Nc1ccc(Sc2ccc(C(=O)c3ccc(Sc4ccc(N)cc4)cc3)cc2)cc1- InChIKey
JFMNPPGOQMGXNI-UHFFFAOYSA-N- Molecular formula
- C25H20N2OS2
- Average molar mass
- 428.6 g/mol
- Monoisotopic mass
- 428.10170561
Names & identifiers
- Preferred name
- 4,4'-Bis(4-aminophenylthio)benzophenone
- IUPAC
- bis[4-(4-aminophenyl)sulfanylphenyl]methanone
Names & synonyms
29654-51-14,4'-Bis(4-aminophenylthio)benzophenoneSCHEMBL6381344DTXSID40563321Bis[4-(4-aminophenylsulfanyl)phenyl) ketoneBis{4-[(4-aminophenyl)sulfanyl]phenyl}methanone
Database identifiers
- CAS
29654-51-1- PubChem CID
- 14717552
- DTXSID
DTXSID40563321- Nikkaji
- J2.312.537D
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 481
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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