Basic information
- Standard SMILES
COC(=O)N1CC=C(c2cccc(SC)c2)CC1- InChIKey
QTXMJVVQULMGMP-UHFFFAOYSA-N- Molecular formula
- C14H17NO2S
- Average molar mass
- 263.36 g/mol
Names & identifiers
- Preferred name
- 4-(3-Methylsulfanyl-phenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid methyl ester
- IUPAC
- methyl 4-(3-methylsulfanylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
Names & synonyms
SCHEMBL4825351QTXMJVVQULMGMP-UHFFFAOYSA-N4-(3-Methylsulfanyl-phenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 12988966
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 54.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 330
Related reactions
3 records
Compound notes
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