Basic information
- CAS
606134-81-0- Standard SMILES
O=C(NCc1cccs1)c1cccc2nccnc12- InChIKey
OPXSGMBQZYVZHA-UHFFFAOYSA-N- Molecular formula
- C14H11N3OS
- Average molar mass
- 269.32 g/mol
- Monoisotopic mass
- 269.06228316
Names & identifiers
- Preferred name
- N-(2-Thienylmethyl)-5-quinoxalinecarboxamide
- IUPAC
- N-(thiophen-2-ylmethyl)quinoxaline-5-carboxamide
- English name
- 5-Quinoxalinecarboxamide,N-(2-thienylmethyl)-(9CI)
- Molecular formula
- C14H11N3OS
- Molecular weight
- 269.32
Names & synonyms
N-(2-Thienylmethyl)-5-quinoxalinecarboxamide606134-81-05-Quinoxalinecarboxamide, N-(2-thienylmethyl)-5-Quinoxalinecarboxamide,N-(2-thienylmethyl)-(9CI)
Database identifiers
- CAS
606134-81-0- PubChem CID
- 1460355
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 326
Physicochemical properties
- Boiling point
- 548.7 · 548.7±45.0 °C(Predicted)
- Density
- 1.343 · 1.343±0.06 g/cm3(Predicted)
- pka
- 12.04 · 12.04±0.46(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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