Basic information
- Standard SMILES
CCOC(=O)c1c(SC)sc2ncccc12- InChIKey
HBIKYHBCHBLVJV-UHFFFAOYSA-N- Molecular formula
- C11H11NO2S2
- Average molar mass
- 253.3 g/mol
Names & identifiers
- Preferred name
- 2-Methylsulfanylthieno[2,3-b]pyridine-3-carboxylic Acid Ethyl Ester
- IUPAC
- ethyl 2-methylsulfanylthieno[2,3-b]pyridine-3-carboxylate
Names & synonyms
2-Methylsulfanylthieno[2,3-b]pyridine-3-carboxylic Acid Ethyl Ester197376-62-8SCHEMBL4107925HBIKYHBCHBLVJV-UHFFFAOYSA-NDB-338631
Database identifiers
- PubChem CID
- 15326673
- Nikkaji
- J887.668A
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 262
Related reactions
3 records
Compound notes
Loading…