S-pentyl-L-cysteine
Basic information
- CAS
4080-25-5- Standard SMILES
CCCC(C)N[C@@H](CS)C(=O)O- InChIKey
VOXCTVGTIOFPHW-MLWJPKLSSA-N- Molecular formula
- C8H17NO2S
- Average molar mass
- 191.29 g/mol
- Monoisotopic mass
- 191.09799996
Overview
structure
Names & identifiers
- Preferred name
- S-pentyl-L-cysteine
- IUPAC
- (2R)-2-(pentan-2-ylamino)-3-sulfanylpropanoic acid
- English name
- S-pentyl-L-cysteine
- Molecular formula
- C8H17NO2S
- Molecular weight
- 191.29
Names & synonyms
S-Pentyl-L-cysteine4080-25-5RefChem:180715N-Pentan-2-ylcysteineL-Cysteine, S-pentyl-N-(Pentan-2-yl)-L-cysteineDTXSID10961219
Database identifiers
- CAS
4080-25-5- PubChem CID
- 165178
- DTXSID
DTXSID10961219
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 50.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 141
Physicochemical properties
- Boiling point
- 322.4 · 322.4±37.0 °C(Predicted)
- Density
- 1.104 · 1.104±0.06 g/cm3(Predicted)
- pka
- 2.1 · 2.10±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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