1-Amino-4-hydroxy-2-mercaptoanthra-9,10-quinone

HCID 412445

Notes Reactions

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Basic information

CAS: 6313-46-8
Standard SMILES: Nc1c(S)cc(O)c2c1C(=O)c1ccccc1C2=O
InChIKey: FRYOPPDGWFBTKY-UHFFFAOYSA-N
Molecular formula: C14H9NO3S
Average molar mass: 271.29 g/mol
Monoisotopic mass: 271.03031415

Names & identifiers

Preferred name: 1-Amino-4-hydroxy-2-mercaptoanthra-9,10-quinone
IUPAC: 1-amino-4-hydroxy-2-sulfanylanthracene-9,10-dione

Names & synonyms

DZ7JUB9BMD1-Amino-4-hydroxy-2-mercaptoanthra-9,10-quinone6313-46-8NSC 398811-amino-4-hydroxy-2-sulfanylanthracene-9,10-dioneNSC-398819,10-Anthracenedione, 1-amino-4-hydroxy-2-mercapto-DTXSID50212474RefChem:74880DTXCID50134965UNII-DZ7JUB9BMDNSC39881

Show more names

SCHEMBL10826231FRYOPPDGWFBTKY-UHFFFAOYSA-N9, 1-amino-4-hydroxy-2-mercapto-1-amino-2-mercapto-4-hydroxyanthraquinone1-amino-4-hydroxy-2-sulfanyl-anthracene-9,10-dione

Database identifiers

CAS: 6313-46-8
PubChem CID: 412445
DTXSID: DTXSID50212474
UNII: DZ7JUB9BMD
Nikkaji: J29.707K

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 81.4 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 5
Rotatable bonds: 0
Heavy atoms: 19
Formal charge: 0
Complexity: 413

Related reactions

1 records

New reaction record

HRID 64773As reactantuspto-grants-1986_09

Compound notes

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