S-[(2-Chlorophenyl)methyl]-N-(1-hydroxyethylidene)cysteine
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Basic information
- CAS
40379-72-4- Standard SMILES
CC(=O)N[C@@H](CSCc1ccccc1Cl)C(=O)O- InChIKey
PJUKLWCGNNDOKV-NSHDSACASA-N- Molecular formula
- C12H14ClNO3S
- Average molar mass
- 287.768 g/mol
- Monoisotopic mass
- 287.03829199
Names & identifiers
- Preferred name
- S-[(2-Chlorophenyl)methyl]-N-(1-hydroxyethylidene)cysteine
- IUPAC
- S-[(2-Chlorophenyl)methyl]-N-(1-hydroxyethylidene)-L-cysteine
- English name
- 2-chlorobenzylmercapturic acid
- Molecular formula
- C12H14ClNO3S
- Molecular weight
- 287.76
Names & synonyms
2-chlorobenzylmercapturic acidL-Cysteine, N-acetyl-S-[(2-chlorophenyl)methyl]-
Database identifiers
- CAS
40379-72-4- PubChem CID
- 162013
- DTXSID
DTXSID30960789- Nikkaji
- J3.191.139G
Properties
Physicochemical properties
- Boiling point
- 530.5 · 530.5±50.0 °C(Predicted)
- Density
- 1.337 · 1.337±0.06 g/cm3(Predicted)
- pka
- 3.29 · 3.29±0.10(Predicted)
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Compound notes
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