Basic information
- CAS
136490-08-9- Standard SMILES
CSc1cc(-c2ccccc2)nc(-c2ccc(Cl)c(Cl)c2)c1- InChIKey
XSRUXAQZZATCLN-UHFFFAOYSA-N- Molecular formula
- C18H13Cl2NS
- Average molar mass
- 346.3 g/mol
- Monoisotopic mass
- 345.014576
Names & identifiers
- Preferred name
- 2-(3,4-Dichlorophenyl)-4-methylsulfanyl-6-phenylpyridine
- IUPAC
- 2-(3,4-dichlorophenyl)-4-methylsulfanyl-6-phenylpyridine
Names & synonyms
136490-08-9DTXSID109294502-(3,4-DICHLOROPHENYL)-4-(METHYLSULFANYL)-6-PHENYLPYRIDINE
Database identifiers
- CAS
136490-08-9- PubChem CID
- 178346
- DTXSID
DTXSID10929450
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 38.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 348
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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