Basic information
- CAS
55817-18-0- Standard SMILES
O=c1c(=S)n(O)c2ccccc2n1O- InChIKey
OFUCBBLZPZPPHH-UHFFFAOYSA-N- Molecular formula
- C8H6N2O3S
- Average molar mass
- 210.21 g/mol
- Monoisotopic mass
- 210.00991323
Names & identifiers
- Preferred name
- 3-Mercapto-1lambda(5),4lambda(5)-quinoxaline-1,2,4-triol
- IUPAC
- 1,4-dihydroxy-3-sulfanylidenequinoxalin-2-one
Names & synonyms
NSC 3611233-Mercapto-1lambda(5),4lambda(5)-quinoxaline-1,2,4-triol55817-18-0SCHEMBL116878591,4-dioxido-3-sulfanyl-quinoxaline-1,4-diium-2-ol3-Mercapto-1.lambda.~5~,4.lambda.~5~-quinoxaline-1,2,4-triol
Database identifiers
- CAS
55817-18-0- PubChem CID
- 435367
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 96.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 284
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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