Basic information
- Standard SMILES
COc1ccc(CS[C@H]2CCNC2)cc1.Cl- InChIKey
IYAMXZWXWBSXKR-YDALLXLXSA-N- Molecular formula
- C12H18ClNOS
- Average molar mass
- 259.8 g/mol
Names & identifiers
- Preferred name
- (3S)-3-(4-Methoxybenzylthio)pyrrolidine hydrochloride
- IUPAC
- (3S)-3-[(4-methoxyphenyl)methylsulfanyl]pyrrolidine;hydrochloride
Names & synonyms
SCHEMBL9414486IYAMXZWXWBSXKR-YDALLXLXSA-N(3S)-3-(4-Methoxybenzylthio)pyrrolidine hydrochloride(3S)-3-(4-Methoxybenzylthio)pyrrolidinehydrochloride
Database identifiers
- PubChem CID
- 14880281
Properties
Computed structural properties
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 180
Related reactions
2 records
Compound notes
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