3-[(1-Benzothiophen-5-yl)methyl]pyridine
Basic information
- CAS
85624-45-9- Standard SMILES
c1cncc(Cc2ccc3sccc3c2)c1- InChIKey
BSWGMCJPINZRMH-UHFFFAOYSA-N- Molecular formula
- C14H11NS
- Average molar mass
- 225.31 g/mol
- Monoisotopic mass
- 225.06122053
Names & identifiers
- Preferred name
- 3-[(1-Benzothiophen-5-yl)methyl]pyridine
- IUPAC
- 3-(1-benzothiophen-5-ylmethyl)pyridine
Names & synonyms
85624-45-9Pyridine, 3-(benzo[b]thien-5-ylmethyl)-3-[(1-Benzothiophen-5-yl)methyl]pyridineSCHEMBL10838270DTXSID00547420
Database identifiers
- CAS
85624-45-9- PubChem CID
- 13712866
- DTXSID
DTXSID00547420
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 231
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Compound notes
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