Basic information
- CAS
31571-94-5- Standard SMILES
CC(C)(C)c1ccc(Sc2cc(O)c3c(c2N)C(=O)c2ccccc2C3=O)cc1- InChIKey
FFARFOCDTANISC-UHFFFAOYSA-N- Molecular formula
- C24H21NO3S
- Average molar mass
- 403.5 g/mol
- Monoisotopic mass
- 403.12421471
Names & identifiers
- Preferred name
- Anthraquinone, 1-amino-2-(tert-butylphenyl)thio-4-hydroxy-
- IUPAC
- 1-amino-2-(4-tert-butylphenyl)sulfanyl-4-hydroxyanthracene-9,10-dione
- English name
- 1-Amino-2-[[4-(1,1-dimethylethyl)phenyl]thio]-4-hydroxy-9,10-anthracenedione
- Molecular formula
- C24H21NO3S
- Molecular weight
- 403.49
Names & synonyms
31571-94-5ANTHRAQUINONE, 1-AMINO-2-(tert-BUTYLPHENYL)THIO-4-HYDROXY-1-Amino-2-tert-butylphenylmercapto-4-hydroxyanthraquinoneAnthraquinone, 1-amino-4-hydroxy-2-(tert-butylphenyl)thio-DTXSID80185465RefChem:319862DTXCID90107956DB-2913241-amino-2-[(4-tert-butylphenyl)sulfanyl]-4-hydroxyanthracene-9,10-dione1-Amino-2-[[4-(1,1-dimethylethyl )phenyl ]thio]-4-hydroxy-9,10-anthracenedione1-Amino-2-[[4-(1,1-dimethylethyl)phenyl]thio]-4-hydroxy-9,10-anthracenedione9,10-Anthracenedione, 1-amino-2-[[4-(1,1-dimethylethyl)phenyl]thio]-4-hydroxy-
Database identifiers
- CAS
31571-94-5- PubChem CID
- 35849
- DTXSID
DTXSID80185465- Nikkaji
- J55.267D
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 637
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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