Cysteine, N-acetyl-S-(2,3,4,5-tetrachlorophenyl)-
Basic information
- CAS
68671-95-4- Standard SMILES
CC(=O)N[C@@H](CSc1cc(Cl)c(Cl)c(Cl)c1Cl)C(=O)O- InChIKey
SHYYBASEZLXKEW-LURJTMIESA-N- Molecular formula
- C11H9Cl4NO3S
- Average molar mass
- 377.1 g/mol
- Monoisotopic mass
- 374.905725
Names & identifiers
- Preferred name
- Cysteine, N-acetyl-S-(2,3,4,5-tetrachlorophenyl)-
- IUPAC
- (2R)-2-acetamido-3-(2,3,4,5-tetrachlorophenyl)sulfanylpropanoic acid
Names & synonyms
68671-95-4Cysteine, N-acetyl-S-(2,3,4,5-tetrachlorophenyl)-L-Cysteine, N-acetyl-S-(2,3,4,5-tetrachlorophenyl)-
Database identifiers
- CAS
68671-95-4- PubChem CID
- 155167
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 91.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 374
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Compound notes
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