2-Amino-3-(4-chlorophenyl)sulfanylpropanoic acid
Basic information
- CAS
25331-32-2- Standard SMILES
NC(CSc1ccc(Cl)cc1)C(=O)O- InChIKey
BMJGODJLKBPJCP-UHFFFAOYSA-N- Molecular formula
- C9H10ClNO2S
- Average molar mass
- 231.7 g/mol
- Monoisotopic mass
- 231.0120774
Names & identifiers
- Preferred name
- 2-Amino-3-(4-chlorophenyl)sulfanylpropanoic acid
- IUPAC
- 2-amino-3-(4-chlorophenyl)sulfanylpropanoic acid
Names & synonyms
NSC144741NSC15391NSC-15391AKOS011208486NSC-14474125331-32-25464-62-0
Database identifiers
- CAS
25331-32-2、5464-62-0- PubChem CID
- 286489
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 88.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 195
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Compound notes
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