Basic information
- CAS
904326-09-6- Standard SMILES
C[C@@H](NC(=S)[C@@H]1CCCN1)c1ccccc1- InChIKey
HAZMYUCALIRQSV-PWSUYJOCSA-N- Molecular formula
- C13H18N2S
- Average molar mass
- 234.36 g/mol
- Monoisotopic mass
- 234.11906976
Names & identifiers
- Preferred name
- (2S)-N-[(1R)-1-phenylethyl]pyrrolidine-2-carbothioamide
- IUPAC
- (2S)-N-[(1R)-1-phenylethyl]pyrrolidine-2-carbothioamide
Names & synonyms
(2S)-N-[(1R)-1-phenylethyl]pyrrolidine-2-carbothioamide904326-09-6SCHEMBL15581744DTXSID40470506
Database identifiers
- CAS
904326-09-6- PubChem CID
- 11680260
- DTXSID
DTXSID40470506- Nikkaji
- J2.266.415H
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 56.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 236
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…