Basic information
- CAS
874945-93-4- Standard SMILES
O=Cc1c(-c2cccnc2)sc2ccccc12- InChIKey
GEJKTQGUQWJEAB-UHFFFAOYSA-N- Molecular formula
- C14H9NOS
- Average molar mass
- 239.29 g/mol
- Monoisotopic mass
- 239.04048508
Names & identifiers
- Preferred name
- Benzo[b]thiophene-3-carboxaldehyde, 2-(3-pyridinyl)-
- IUPAC
- 2-pyridin-3-yl-1-benzothiophene-3-carbaldehyde
Names & synonyms
Benzo[b]thiophene-3-carboxaldehyde, 2-(3-pyridinyl)-874945-93-4CHEMBL232916SCHEMBL5792376DTXSID204692712-(PYRIDIN-3-YL)-1-BENZOTHIOPHENE-3-CARBALDEHYDE
Database identifiers
- CAS
874945-93-4- PubChem CID
- 11601152
- DTXSID
DTXSID20469271- ChEMBL
CHEMBL232916
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 283
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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