Basic information
- CAS
107817-59-4- Standard SMILES
N[C@@H](CSC=CCCl)C(=O)O- InChIKey
XNPDSJIMSPYSOE-YFKPBYRVSA-N- Molecular formula
- C6H10ClNO2S
- Average molar mass
- 195.67 g/mol
- Monoisotopic mass
- 195.0120774
Names & identifiers
- Preferred name
- (2R)-2-amino-3-(3-chloroprop-1-enylsulfanyl)propanoic acid
- IUPAC
- (2R)-2-amino-3-(3-chloroprop-1-enylsulfanyl)propanoic acid
Names & synonyms
DTXSID201030701
Database identifiers
- CAS
107817-59-4- PubChem CID
- 154017
- DTXSID
DTXSID201030701
Properties
Computed structural properties
- XLogP
- -2
- Topological polar surface area
- 88.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 152
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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