Basic information
- CAS
87619-82-7- Standard SMILES
N[C@@H](CSC(Cl)=C(Cl)C(Cl)=C(Cl)Cl)C(=O)O- InChIKey
GEAIQETWXSVTMO-REOHCLBHSA-N- Molecular formula
- C7H6Cl5NO2S
- Average molar mass
- 345.5 g/mol
- Monoisotopic mass
- 342.856188
Names & identifiers
- Preferred name
- S-(pentachlorobutadienyl)-l-cysteine
- IUPAC
- (2R)-2-amino-3-(1,2,3,4,4-pentachlorobuta-1,3-dienylsulfanyl)propanoic acid
Names & synonyms
DTXSID501033942S-(pentachlorobutadienyl)-l-cysteine
Database identifiers
- CAS
87619-82-7- PubChem CID
- 55747
- DTXSID
DTXSID501033942
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 88.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 340
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…