Basic information
- CAS
646511-40-2- Standard SMILES
Cc1cccc(Sc2ccncc2)c1- InChIKey
MIBCHYIMODVJPR-UHFFFAOYSA-N- Molecular formula
- C12H11NS
- Average molar mass
- 201.29 g/mol
- Monoisotopic mass
- 201.06122053
Names & identifiers
- Preferred name
- Pyridine, 4-[(3-methylphenyl)thio]-
- IUPAC
- 4-(3-methylphenyl)sulfanylpyridine
Names & synonyms
Pyridine, 4-[(3-methylphenyl)thio]-646511-40-24-(m-tolylsulfanyl)pyridineSCHEMBL257947DTXSID703329614-(3-Methylbenzenethio)-pyridine4-[(3-METHYLPHENYL)SULFANYL]PYRIDINE
Database identifiers
- CAS
646511-40-2- PubChem CID
- 472995
- DTXSID
DTXSID70332961
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
- 166
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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