Basic information
- Standard SMILES
CSc1cc(-c2ccccc2)nc(-c2cccc(CCl)c2)c1- InChIKey
AFWQLVDPUMEWCD-UHFFFAOYSA-N- Molecular formula
- C19H16ClNS
- Average molar mass
- 325.9 g/mol
Names & identifiers
- Preferred name
- 2-(3'-Chloromethylphenyl)-4-methylthio-6-phenylpyridine
- IUPAC
- 2-[3-(chloromethyl)phenyl]-4-methylsulfanyl-6-phenylpyridine
Names & synonyms
SCHEMBL10504989AFWQLVDPUMEWCD-UHFFFAOYSA-N2-(3'-chloromethylphenyl)-4-methylthio-6-phenylpyridine
Database identifiers
- PubChem CID
- 20031588
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 38.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 331
Related reactions
1 records
Compound notes
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