Anthraquinone, 2-amino-1-mercapto-
Basic information
- CAS
6374-73-8- Standard SMILES
Nc1ccc2c(c1S)C(=O)c1ccccc1C2=O- InChIKey
CYZMGNABIKQJTM-UHFFFAOYSA-N- Molecular formula
- C14H9NO2S
- Average molar mass
- 255.29 g/mol
- Monoisotopic mass
- 255.0353997
Names & identifiers
- Preferred name
- Anthraquinone, 2-amino-1-mercapto-
- IUPAC
- 2-amino-1-sulfanylanthracene-9,10-dione
- English name
- 2-amino-1-mercaptoanthracene-9,10-dione
- Molecular formula
- C14H9NO2S
- Molecular weight
- 255.29
Names & synonyms
6374-73-81M-2AA [Russian]ANTHRAQUINONE, 2-AMINO-1-MERCAPTO-2-Amino-1-mercaptoanthraquinoneBRN 28100931M-2AADTXSID602131792-14-00-00167 (Beilstein Handbook Reference)RefChem:319866DTXCID101356702-amino-1-sulfanylanthracene-9,10-dione2-AMINO-1-MERCAPTOANTHRACENE-9,10-DIONE
Show more names
9,10-Anthracenedione, 2-amino-1-mercapto-
1-Merkapto-2-aminoanthrachinon
Database identifiers
- CAS
6374-73-8- PubChem CID
- 22864
- DTXSID
DTXSID60213179- Nikkaji
- J55.386G
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 61.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 384
Physicochemical properties
- Toxicity
- 50 intraperitoneal · LD50 intraperitoneal in rat: 500mg/kg
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
- Toxicity
- LD50 intraperitoneal in rat: 500mg/kg
Chemistry & industry
Upstream & downstream products
Downstream products
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Related reactions
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Compound notes
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