Basic information
- CAS
3411-58-3- Standard SMILES
CCOC(=O)[C@@H](N)CS- InChIKey
YVKSGVDJQXLXDV-BYPYZUCNSA-N- Molecular formula
- C5H11NO2S
- Average molar mass
- 149.21 g/mol
- Monoisotopic mass
- 149.05104959
Overview
RN given refers to (L)-isomer
Names & identifiers
- Preferred name
- Ethyl L-cysteinate
- IUPAC
- ethyl (2R)-2-amino-3-sulfanylpropanoate
- English name
- ethyl L-cysteinate
- Molecular formula
- C5H11NO2S
- Molecular weight
- 149.21
Names & synonyms
Ethyl L-cysteinate3411-58-3L-Cysteine ethyl esterCysteine ethyl esterCUJ92PBQ9ZDTXSID3048364CYSTANINRefChem:138971DTXCID9028338222-298-3Ethyl cysteineethyl (2R)-2-amino-3-sulfanylpropanoate
Show more names
L-Cys-OEtCysteine ethylL-Cysteine ethylCysteine, ethyl ester, L- (7CI, 8CI)Ethyl L-cysteinate / L-Cysteine ethyl ester(R)-2-Amino-3-mercaptopropanoic acid ethyl ester
L-Cysteine, ethyl esterethyl cysteinateCysteine ethylesterNCGC00166061-01CCRIS 2903CysOEtl-cys ethyl esterEINECS 222-298-3
Database identifiers
- CAS
3411-58-3- PubChem CID
- 13359
- DTXSID
DTXSID3048364- ChEMBL
CHEMBL333513- UNII
- CUJ92PBQ9Z
- EC Number
- 222-298-3
- Nikkaji
- J191.766H
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 53.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 97
Physicochemical properties
- Melting point
- 125 · 125-127 °C
- Boiling point
- 205.9 · 205.9±30.0 °C(Predicted)
- Density
- 1.124 · 1.124±0.06 g/cm3(Predicted)
- pka
- 9.39 · 9.39±0.10(Predicted)
- FDA UNII
- 92 PBQ9Z · CUJ92PBQ9Z
Chemistry & industry
Suppliers2 total
江苏洪珉药业有限公司18221292452 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
Related reactions
6 records
Compound notes
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