Basic information
- CAS
113793-51-4- Standard SMILES
CC(=O)N[C@@H](CSCCCl)C(=O)O- InChIKey
PUOICJBSGWOTFX-LURJTMIESA-N- Molecular formula
- C7H12ClNO3S
- Average molar mass
- 225.69 g/mol
- Monoisotopic mass
- 225.0226421
Names & identifiers
- Preferred name
- N-Acetyl-S-(2-chloroethyl)-L-cysteine
- IUPAC
- (2R)-2-acetamido-3-(2-chloroethylsulfanyl)propanoic acid
Names & synonyms
N-Acetyl-S-(2-chloroethyl)-L-cysteineN-Acetyl-S-(2-chloroethyl)cysteine58337-49-8CV06XJ4CPYL-CYSTEINE, N-ACETYL-S-(2-CHLOROETHYL)-CCRIS 5340UNII-CV06XJ4CPY113793-51-4Cysteine, N-acetyl-S-(2-chloroethyl)-DTXSID401031929S-(2-chloroethyl)-N-acetyl-cysteineQ27275823
Database identifiers
- CAS
113793-51-4、58337-49-8- PubChem CID
- 42724
- DTXSID
DTXSID401031929- UNII
- CV06XJ4CPY
- Nikkaji
- J85.323B
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 91.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 189
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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