Pyridine, 4-[(4-methylphenyl)thio]-
Basic information
- CAS
78526-50-8- Standard SMILES
Cc1ccc(Sc2ccncc2)cc1- InChIKey
KWEYCYLSENXKPE-UHFFFAOYSA-N- Molecular formula
- C12H11NS
- Average molar mass
- 201.29 g/mol
- Monoisotopic mass
- 201.06122053
Names & identifiers
- Preferred name
- Pyridine, 4-[(4-methylphenyl)thio]-
- IUPAC
- 4-(4-methylphenyl)sulfanylpyridine
Names & synonyms
Pyridine, 4-[(4-methylphenyl)thio]-78526-50-84-[(4-METHYLPHENYL)SULFANYL]PYRIDINE4-(p-tolylsulfanyl)pyridineSCHEMBL257957DTXSID303329624-(4-Methylbenzenethio)-pyridine
Database identifiers
- CAS
78526-50-8- PubChem CID
- 472999
- DTXSID
DTXSID30332962- Nikkaji
- J3.425.670E
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 38.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 158
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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