Basic information
- CAS
89784-39-4- Standard SMILES
CC(=O)N[C@@H](CSC(Cl)=C(Cl)C(Cl)=C(Cl)Cl)C(=O)O- InChIKey
HMFZXPFVUQXTHQ-BYPYZUCNSA-N- Molecular formula
- C9H8Cl5NO3S
- Average molar mass
- 387.5 g/mol
- Monoisotopic mass
- 384.866753
Names & identifiers
- Preferred name
- N-Acetyl-S-(1,2,3,4,4-pentachlorobutadienyl)-L-cysteine
- IUPAC
- (2R)-2-acetamido-3-(1,2,3,4,4-pentachlorobuta-1,3-dienylsulfanyl)propanoic acid
Names & synonyms
N-Acetyl-S-(1,2,3,4,4-pentachlorobutadienyl)-L-cysteineSCHEMBL16098275DTXSID701034110
Database identifiers
- CAS
89784-39-4- PubChem CID
- 56010
- DTXSID
DTXSID701034110
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 91.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 434
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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