2-Amino-3-(4-fluorophenyl)sulfanylpropanoic acid
Basic information
- CAS
331-90-8- Standard SMILES
NC(CSc1ccc(F)cc1)C(=O)O- InChIKey
FYPZDFGIJISTBF-UHFFFAOYSA-N- Molecular formula
- C9H10FNO2S
- Average molar mass
- 215.25 g/mol
- Monoisotopic mass
- 215.0416279
Names & identifiers
- Preferred name
- 2-Amino-3-(4-fluorophenyl)sulfanylpropanoic acid
- IUPAC
- 2-amino-3-(4-fluorophenyl)sulfanylpropanoic acid
- English name
- S-(4-Fluorophenyl)-L-cysteine
- Molecular formula
- C9H10FNO2S
- Molecular weight
- 215.25
Names & synonyms
331-90-82-amino-3-(4-fluorophenyl)sulfanylpropanoic acidNSC21936SCHEMBL11869200NSC-21936AKOS011206918L-Cysteine, S-(4-fluorophenyl)-2-amino-3-[(4-fluorophenyl)thio]propionic acid2-azanyl-3-(4-fluorophenyl)sulfanyl-propanoic acid
Database identifiers
- CAS
331-90-8- PubChem CID
- 228804
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 88.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 195
Physicochemical properties
- Melting point
- 179 · 179-181 °C (decomp)
- Boiling point
- 362.4 · 362.4±42.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 2.03 · 2.03±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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