S-(2-(2-Pyridinyl)ethyl)-L-cysteine
Basic information
- CAS
29567-83-7- Standard SMILES
N[C@@H](CSCCc1ccccn1)C(=O)O- InChIKey
LZHOUAHZPZIFRR-VIFPVBQESA-N- Molecular formula
- C10H14N2O2S
- Average molar mass
- 226.3 g/mol
- Monoisotopic mass
- 226.07759887
Overview
see also record for 4-pyridinyl cpd
Names & identifiers
- Preferred name
- S-(2-(2-Pyridinyl)ethyl)-L-cysteine
- IUPAC
- (2R)-2-amino-3-(2-pyridin-2-ylethylsulfanyl)propanoic acid
- English name
- S-(2-(2-pyridinyl)ethyl)-L-cysteine
- Molecular formula
- C10H14N2O2S
- Molecular weight
- 226.3
Names & synonyms
S-beta-(2-Pyridylethyl)-L-cysteineS-(2-(2-Pyridinyl)ethyl)-L-cysteineRefChem:18049629567-83-7L-Cysteine, S-[2-(pyridinyl)ethyl]-NSC 163407142953-31-9S-(2-(pyridin-2-yl)ethyl)-L-cysteine(R)-2-AMINO-3-((2-(PYRIDIN-2-YL)ETHYL)THIO)PROPANOIC ACIDS-[2-(pyridin-2-yl)ethyl]cysteineS-pyridylethyl cysteineSCHEMBL7357437
Show more names
NSC163407A2073/0087185[2-(2-Pyridinyl)ethyl]cysteineL-Cysteine, S-[2-(2-pyridinyl)ethyl]-2-amino-3-[2-(2-pyridyl)ethylthio]propionic acid2-amino-3-[2-(2-pyridyl)ethylthio]propanoic acid2-amino-3-[2-(2-pyridyl)ethylsulfanyl]propanoic acid2-amino-3-(2-pyridin-2-ylethylsulfanyl)propanoic acid
EX-A11515L-Cysteine, S-(2-(2-pyridinyl)ethyl)-CS-0314147H82994
Database identifiers
- CAS
29567-83-7- PubChem CID
- 99007
Properties
Computed structural properties
- XLogP
- -1.8
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 202
Physicochemical properties
- Boiling point
- 421.7 · 421.7±45.0 °C(Predicted)
- Density
- 1.273 · 1.273±0.06 g/cm3(Predicted)
- pka
- 2.06 · 2.06±0.10(Predicted)
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Related reactions
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Compound notes
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