Pyridine, 4-[[(3-methylphenyl)methyl]thio]-
Basic information
- CAS
646511-31-1- Standard SMILES
Cc1cccc(CSc2ccncc2)c1- InChIKey
ZIGONGFHNBLYBZ-UHFFFAOYSA-N- Molecular formula
- C13H13NS
- Average molar mass
- 215.32 g/mol
- Monoisotopic mass
- 215.07687059
Names & identifiers
- Preferred name
- Pyridine, 4-[[(3-methylphenyl)methyl]thio]-
- IUPAC
- 4-[(3-methylphenyl)methylsulfanyl]pyridine
Names & synonyms
Pyridine, 4-[[(3-methylphenyl)methyl]thio]-646511-31-1SCHEMBL140220094-(3-Methylbenzylthio)-pyridine4-(m-tolylmethylsulfanyl)pyridineDTXSID003329394-{[(3-METHYLPHENYL)METHYL]SULFANYL}PYRIDINE
Database identifiers
- CAS
646511-31-1- PubChem CID
- 472973
- DTXSID
DTXSID00332939
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 38.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 177
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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