Basic information
- CAS
67923-50-6- Standard SMILES
Nc1c(Sc2ccc(O)cc2)cc(O)c2c1C(=O)c1ccccc1C2=O- InChIKey
NZRGKQQMKNRNLS-UHFFFAOYSA-N- Molecular formula
- C20H13NO4S
- Average molar mass
- 363.4 g/mol
- Monoisotopic mass
- 363.05652907
Names & identifiers
- Preferred name
- 9,10-Anthracenedione, 1-amino-4-hydroxy-2-[(4-hydroxyphenyl)thio]-
- IUPAC
- 1-amino-4-hydroxy-2-(4-hydroxyphenyl)sulfanylanthracene-9,10-dione
- English name
- 1-amino-4-hydroxy-2-[(4-hydroxyphenyl)thio]anthraquinone
- Molecular formula
- C20H13NO4S
- Molecular weight
- 363.38652
Names & synonyms
EINECS 267-766-89,10-Anthracenedione, 1-amino-4-hydroxy-2-[(4-hydroxyphenyl)thio]-DTXSID60708511-Amino-4-hydroxy-2-(4-hydroxyphenyl)thio-9,10-anthracenedione9,10-Anthracenedione, 1-amino-4-hydroxy-2-((4-hydroxyphenyl)thio)-RefChem:548680DTXCID204528067923-50-61-Amino-4-hydroxy-2-((4-hydroxyphenyl)thio)anthraquinoneZNA93CPF6UNZRGKQQMKNRNLS-UHFFFAOYSA-N1-Amino-4-hydroxy-2-[(4-hydroxyphenyl)thio]-9,10-anthracenedione
Show more names
1-amino-4-hydroxy-2-[(4-hydroxyphenyl)thio]anthraquinone
NS000362931-AMINO-4-HYDROXY-2-[(4-HYDROXYPHENYL)SULFANYL]ANTHRACENE-9,10-DIONE
Database identifiers
- CAS
67923-50-6- PubChem CID
- 106145
- DTXSID
DTXSID6070851- UNII
- ZNA93CPF6U
- EC Number
- 267-766-8
- Nikkaji
- J317.215E
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 562
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- EPA Substance Registry System
- 9 · 9,10-Anthracenedione, 1-amino-4-hydroxy-2-[(4-hydroxyphenyl)thio]- (67923-50-6)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information9,10-Anthracenedione, 1-amino-4-hydroxy-2-[(4-hydroxyphenyl)thio]-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…