Basic information
- CAS
4378-11-4- Standard SMILES
CC(SCc1ccccc1)C(N)C(=O)O- InChIKey
LFDBFDNFEXIDJQ-UHFFFAOYSA-N- Molecular formula
- C11H15NO2S
- Average molar mass
- 225.31 g/mol
- Monoisotopic mass
- 225.08234989
Names & identifiers
- Preferred name
- Butanoic acid, 2-amino-3-[(phenylmethyl)thio]-
- IUPAC
- 2-amino-3-benzylsulfanylbutanoic acid
Names & synonyms
Butanoic acid,2-amino-3-[(phenylmethyl)thio]-, [S-(R*,S*)]- (9CI)Butanoic acid, 2-amino-3-[(phenylmethyl)thio]-NSC2971304378-11-4DTXSID70315754NSC-2971302-AMINO-3-(BENZYLSULFANYL)BUTANOIC ACID
Database identifiers
- CAS
4378-11-4- PubChem CID
- 326237
- DTXSID
DTXSID70315754
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 88.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 205
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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