(2R)-2-azaniumyl-3-methoxy-3-oxopropane-1-thiolate
Basic information
- CAS
2485-62-3- Standard SMILES
COC(=O)[C@@H]([NH3+])C[S-]- InChIKey
MCYHPZGUONZRGO-VKHMYHEASA-N- Molecular formula
- C4H9NO2S
- Average molar mass
- 135.19 g/mol
- Monoisotopic mass
- 135.0353997
Overview
See also: L-Cysteine, methyl ester (preferred).
Names & identifiers
- Preferred name
- (2R)-2-azaniumyl-3-methoxy-3-oxopropane-1-thiolate
- IUPAC
- (2R)-2-azaniumyl-3-methoxy-3-oxopropane-1-thiolate
- English name
- mecysteine
- Molecular formula
- C4H9NO2S
- Molecular weight
- 135.18
Names & synonyms
L-Cys-OMemethyl L-cysteinatemecysteineCysteine methylMethyl cysteinateL-Cysteine methylmecysteine USP/EP/BPCysteine methyl ester
Database identifiers
- CAS
2485-62-3- PubChem CID
- 1550140
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 54.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 86.1
Physicochemical properties
- Boiling point
- 197.2 · 197.2±30.0 °C(Predicted)
- Density
- 1.163 · 1.163±0.06 g/cm3(Predicted)
- pka
- 9.35 · 9.35±0.10(Predicted)
- FDA UNII
- 6 L463N3B · RQ6L463N3B
Chemistry & industry
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: An L-cysteinyl ester resulting from the formal condensation of the carboxylic acid group of L-cysteine with methanol. It is used (as the hydrochloride salt) as a mucolytic for the treatment of respiratory disorders associa ed with productive cough.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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