4-[(3-Methoxyphenyl)methylsulfanyl]pyridine
Basic information
- CAS
646511-26-4- Standard SMILES
COc1cccc(CSc2ccncc2)c1- InChIKey
UBJKOADMXSMYBW-UHFFFAOYSA-N- Molecular formula
- C13H13NOS
- Average molar mass
- 231.32 g/mol
- Monoisotopic mass
- 231.07178521
Names & identifiers
- Preferred name
- 4-[(3-Methoxyphenyl)methylsulfanyl]pyridine
- IUPAC
- 4-[(3-methoxyphenyl)methylsulfanyl]pyridine
Names & synonyms
4-[(3-methoxyphenyl)methylsulfanyl]pyridine646511-26-4DTXSID003329344-(3-Methoxybenzylthio)-pyridine4-{[(3-METHOXYPHENYL)METHYL]SULFANYL}PYRIDINE
Database identifiers
- CAS
646511-26-4- PubChem CID
- 472965
- DTXSID
DTXSID00332934
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 47.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 194
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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