S-(2-cyanoethyl)cysteine
Basic information
- CAS
3958-13-2- Standard SMILES
N#CCCSC[C@H](N)C(=O)O- InChIKey
AIFKTVSJRSBYCY-YFKPBYRVSA-N- Molecular formula
- C6H10N2O2S
- Average molar mass
- 174.22 g/mol
- Monoisotopic mass
- 174.04629874
Names & identifiers
- Preferred name
- S-(2-cyanoethyl)cysteine
- IUPAC
- (2R)-2-amino-3-(2-cyanoethylsulfanyl)propanoic acid
- English name
- S-Cyanoethyl-L-cysteine
- Molecular formula
- C6H10N2O2S
- Molecular weight
- 174.22
Names & synonyms
3958-13-2S-(2-Cyanoethyl)cysteine2-CycyL-Cysteine, S-(2-cyanoethyl)-DTXSID20960192RefChem:180522DTXCID101388054S-Cyanoethyl-L-cysteine(2R)-2-amino-3-(2-cyanoethylsulfanyl)propanoic acid(R)-2-Amino-3-((2-cyanoethyl)thio)propanoic acidcysteine, S-cyanoethyl-S-(2-Cyanoethyl)-L-cysteine
Show more names
S-CYANOETHYLCYSTEINE2-Amino-3-(2-cyano-ethylsulfanyl)-propionic Acid
AKOS006237853DB-266729(2R)-2-AMINO-3-[(2-CYANOETHYL)SULFANYL]PROPANOIC ACIDL-Cysteine, S-(2-cyanoethyl)-; Alanine, 3-[(2-cyanoethyl)thio]-, L- (8CI); S-(2-Cyanoethyl)cysteine; S-(2-Cyanoethyl)-L-cysteine
Database identifiers
- CAS
3958-13-2- PubChem CID
- 160728
- DTXSID
DTXSID20960192
Properties
Computed structural properties
- XLogP
- -3
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 175
Physicochemical properties
- Melting point
- 174 · 174-1780C
- Boiling point
- 400.936 · 400.936±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.304 · 1.304±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- DMSO (Slightly, Heated), Water (Slightly)
- form
- Solid
- pka
- 2.062 · 2.062±0.10(predicted)
- color
- White to Off-White
Chemistry & industry
Applications
UsesS-Cyanoethyl-L-cysteine (cas# 3958-13-2) is a compound useful in organic synthesis.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…