Basic information
- CAS
1367368-46-4- Standard SMILES
O=Cc1ccc2[nH]c(=O)c(-c3cccs3)nc2c1- InChIKey
XGPQSLYLKCFSEX-UHFFFAOYSA-N- Molecular formula
- C13H8N2O2S
- Average molar mass
- 256.28 g/mol
- Monoisotopic mass
- 256.03064868
Names & identifiers
- Preferred name
- 2-Oxo-3-thiophen-2-yl-1,2-dihydro-quinoxaline-6-carbaldehyde
- IUPAC
- 2-oxo-3-thiophen-2-yl-1H-quinoxaline-6-carbaldehyde
Names & synonyms
SCHEMBL1898657XGPQSLYLKCFSEX-UHFFFAOYSA-NDTXSID1011827032-Oxo-3-(thiophen-2-yl)-1,2-dihydroquinoxaline-6-carbaldehyde2-Oxo-3-thiophen-2-yl-1,2-dihydro-quinoxaline-6-carbaldehyde6-Quinoxalinecarboxaldehyde, 1,2-dihydro-2-oxo-3-(2-thienyl)-1367368-46-4
Database identifiers
- CAS
1367368-46-4- PubChem CID
- 21083645
- DTXSID
DTXSID101182703
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 86.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 396
Related reactions
5 records
Compound notes
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