Basic information
- CAS
346688-67-3- Standard SMILES
CSc1cccc(C2=CCNCC2)c1- InChIKey
SNWOGYXQQFQOME-UHFFFAOYSA-N- Molecular formula
- C12H15NS
- Average molar mass
- 205.32 g/mol
- Monoisotopic mass
- 205.09252048
Names & identifiers
- Preferred name
- 1,2,3,6-Tetrahydro-4-(3-(methylthio)phenyl)pyridine
- IUPAC
- 4-(3-methylsulfanylphenyl)-1,2,3,6-tetrahydropyridine
Names & synonyms
346688-67-31,2,3,6-Tetrahydro-4-[3-(methylthio)phenyl]pyridine1,2,3,6-Tetrahydro-4-(3-(methylthio)phenyl)pyridineRefChem:2145904-(3-(methylthio)phenyl)-1,2,3,6-tetrahydropyridineSCHEMBL48211084-(3-Methylsulfanyl-phenyl)-1,2,3,6-tetrahydropyridineSNWOGYXQQFQOME-UHFFFAOYSA-NDTXSID201225196I770224-(3-Methylsulfanyl-phenyl)-1,2,3,6-tetrahydro-pyridine4-[3-(Methylsulfanyl)phenyl]-1,2,3,6-tetrahydropyridine
Database identifiers
- CAS
346688-67-3- PubChem CID
- 12988965
- DTXSID
DTXSID201225196
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 212
Related reactions
6 records
Compound notes
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