Basic information
- Standard SMILES
CCSC(c1ccccc1)C(N)C(=O)OC- InChIKey
HRDPSZHRYPFDIZ-UHFFFAOYSA-N- Molecular formula
- C12H17NO2S
- Average molar mass
- 239.34 g/mol
Names & identifiers
- Preferred name
- Methyl 2-amino-3-ethylsulfanyl-3-phenylpropanoate
- IUPAC
- methyl 2-amino-3-ethylsulfanyl-3-phenylpropanoate
Database identifiers
- PubChem CID
- 77736632
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 77.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 217
Related reactions
1 records
Compound notes
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