Basic information
- CAS
115453-72-0- Standard SMILES
N[C@@H](CSC(Cl)=C(Cl)C(Cl)(Cl)Cl)C(=O)O- InChIKey
VCKWTCAFPNXZRZ-REOHCLBHSA-N- Molecular formula
- C6H6Cl5NO2S
- Average molar mass
- 333.4 g/mol
- Monoisotopic mass
- 330.856188
Names & identifiers
- Preferred name
- S-(1,2,3,3,3-Pentachloro-1-propenyl)-L-cysteine
- IUPAC
- (2R)-2-amino-3-(1,2,3,3,3-pentachloroprop-1-enylsulfanyl)propanoic acid
Names & synonyms
S-(1,2,3,3,3-Pentachloro-1-propenyl)-L-cysteine115453-72-00BHP1151D2L-Alanine, 3-((1,2,3,3,3-pentachloro-1-propenyl)thio)-DTXSID901031362Q27896530L-CYSTEINE, S-(1,2,3,3,3-PENTACHLORO-1-PROPEN-1-YL)-
Database identifiers
- CAS
115453-72-0- PubChem CID
- 146554
- DTXSID
DTXSID901031362- UNII
- 0BHP1151D2
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
- 15
- Formal charge
- 0
- Complexity
- 277
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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