S-[(4-Iodophenyl)methyl]-L-cysteine
Basic information
- CAS
52273-85-5- Standard SMILES
N[C@@H](CSCc1ccc(I)cc1)C(=O)O- InChIKey
HTQDGUXVWLEMQW-VIFPVBQESA-N- Molecular formula
- C10H12INO2S
- Average molar mass
- 337.18 g/mol
- Monoisotopic mass
- 336.96335
Names & identifiers
- Preferred name
- S-[(4-Iodophenyl)methyl]-L-cysteine
- IUPAC
- (2R)-2-amino-3-[(4-iodophenyl)methylsulfanyl]propanoic acid
Names & synonyms
NSC-40016S-[(4-Iodophenyl)methyl]-L-cysteineNCIStruc1_001260NCIStruc2_001442SCHEMBL5695765CHEMBL1317921DTXSID101292760NCI40016CCG-36774NCGC00013466AKOS014816549NCGC00013466-02
Show more names
NCGC00096581-0152273-85-5
Database identifiers
- CAS
52273-85-5- PubChem CID
- 3246147
- DTXSID
DTXSID101292760- ChEMBL
CHEMBL1317921
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 88.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 208
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Related reactions
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Compound notes
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