Basic information
- CAS
953-18-4- Standard SMILES
CCOC(=O)C(N)CSCc1ccccc1- InChIKey
CNQSZDMYASSXPV-UHFFFAOYSA-N- Molecular formula
- C12H17NO2S
- Average molar mass
- 239.34 g/mol
Names & identifiers
- Preferred name
- Ethyl 2-amino-3-benzylsulfanyl-propanoate
- IUPAC
- ethyl 2-amino-3-benzylsulfanylpropanoate
Names & synonyms
953-18-4ETHYL 2-AMINO-3-BENZYLSULFANYL-PROPANOATENSC161615AKOS011208725NSC-161615DS-000774
Database identifiers
- CAS
953-18-4- PubChem CID
- 424086
- Nikkaji
- J2.268.935E
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 77.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 205
Related reactions
3 records
Compound notes
Loading…