Basic information
- CAS
136490-11-4- Standard SMILES
COc1ccc(-c2cc(SC)cc(-c3cccc(Cl)c3)n2)cc1- InChIKey
YZUKUIWPUYOFRN-UHFFFAOYSA-N- Molecular formula
- C19H16ClNOS
- Average molar mass
- 341.9 g/mol
- Monoisotopic mass
- 341.064113
Names & identifiers
- Preferred name
- 2-(3-Chlorophenyl)-6-(4-methoxyphenyl)-4-methylthiopyridine
- IUPAC
- 2-(3-chlorophenyl)-6-(4-methoxyphenyl)-4-methylsulfanylpyridine
Names & synonyms
2-(3-Chlorophenyl)-6-(4-methoxyphenyl)-4-methylthiopyridine136490-11-4DTXSID301598182-(3-chlorophenyl)-6-(4-methoxyphenyl)-4-(methylsulfanyl)pyridine
Database identifiers
- CAS
136490-11-4- PubChem CID
- 178349
- DTXSID
DTXSID30159818
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 47.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 361
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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