Basic information
- Standard SMILES
COc1ccc(CS[C@H]2CCNC2)cc1- InChIKey
WEAAOISGHWAWTG-LBPRGKRZSA-N- Molecular formula
- C12H17NOS
- Average molar mass
- 223.34 g/mol
Names & identifiers
- Preferred name
- (3S)-3-(4-methoxybenzylthio)pyrrolidine
- IUPAC
- (3S)-3-[(4-methoxyphenyl)methylsulfanyl]pyrrolidine
Names & synonyms
SCHEMBL9480021WEAAOISGHWAWTG-LBPRGKRZSA-N(3S)-3-(4-methoxybenzylthio)pyrrolidine
Database identifiers
- PubChem CID
- 14880282
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 180
Related reactions
1 records
Compound notes
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