Methyl 2-amino-3-benzoylsulfanylpropanoate
Basic information
- CAS
5673-88-1- Standard SMILES
COC(=O)C(N)CSC(=O)c1ccccc1- InChIKey
URMGJDUHFXBVIE-UHFFFAOYSA-N- Molecular formula
- C11H13NO3S
- Average molar mass
- 239.29 g/mol
- Monoisotopic mass
- 239.06161445
Names & identifiers
- Preferred name
- Methyl 2-amino-3-benzoylsulfanylpropanoate
- IUPAC
- methyl 2-amino-3-benzoylsulfanylpropanoate
Names & synonyms
5673-88-1methyl 2-amino-3-benzoylsulfanylpropanoateMethyl S-benzoylcysteinateNCIOpen2_006349SCHEMBL23154643DTXSID40329161
Database identifiers
- CAS
5673-88-1- PubChem CID
- 417953
- DTXSID
DTXSID40329161
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 94.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 252
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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