Npc302632
Basic information
- CAS
1187-84-4- Standard SMILES
CSCC(N)C(=O)O- InChIKey
IDIDJDIHTAOVLG-UHFFFAOYSA-N- Molecular formula
- C4H9NO2S
- Average molar mass
- 135.19 g/mol
- Monoisotopic mass
- 135.03539953
Overview
Methylcysteine is a cysteine derivative.
Names & identifiers
- Preferred name
- Npc302632
- IUPAC
- 2-amino-3-methylsulfanylpropanoic acid
- English name
- S-Methyl-L-cysteine
- Molecular formula
- C4H9NO2S
- Molecular weight
- 135.18
Names & synonyms
RefChem:1093059Npc3026322-amino-3-(methylsulfanyl)propanoic acidMethylcysteineH-DL-Cys(Me)-OHCysteine, S-methyl-19651-44-62-amino-3-methylsulfanylpropanoic acid2-amino-3-(methylthio)propanoic acidDL-Cysteine, S-methyl-S-Methyl-DL-cysteineH-D-HoCys-OH
Show more names
SMCH-CYS(ME)-OHS-METHYL-CYSTEINESMLCL-Cys（me）-OHH-L-CYS(ME)-OHS-Methyl-L-Cys-OHS-METHYL-L-CYSTEINES-MethyI-L-cysteine
USAF CB-24(R)-2-Amino-3-methylmercaptopropionic acid2-amino-3-methylsulfanyl-propanoic acidS-Methyl cysteine(R)-2-amino-3-(methylthio)propanoic acidDL-S-Methyl-Cys-OHMethylcysteine #L-S-Methylcysteine
Database identifiers
- CAS
1187-84-4、19651-44-6、7728-98-5- PubChem CID
- 225710
- DTXSID
DTXSID701352087- ChEBI
CHEBI:229268- EC Number
- 243-203-1
- Nikkaji
- J1.330.311H
Properties
Computed structural properties
- XLogP
- -2.7
- Topological polar surface area
- 88.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 86.1
Physicochemical properties
- Melting point
- 240 °C · ~240 °C (dec.)
- alpha
- -29.5 · -29.5 º (c=1,water)
- Boiling point
- 300.3 · 300.3±37.0 °C(Predicted)
- Density
- 1.149 · 1.149 (estimate)
- refractive index
- -30 ° · -30 ° (C=2, H2O)
- storage temp.
- -20 °C · Keep in dark place,Sealed in dry,Store in freezer, under -20°C
- solubility
- Aqueous Acid (Slightly, Sonicated), Aqueous Base (Sparingly, Sonicated)
- form
- Solid
- pka
- 1 · pK1:8.97 (25°C)
- color
- White to Off-White
- BRN
- 1721675 · 1721675
- Major Application
- peptide synthesis
- InChI
- InChI=1S/C4H9NO2S/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
- InChIKey
- IDIDJDIHTAOVLG-VKHMYHEASA-N
- SMILES
- C(O)(=O)[C@H](CSC)N
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29309090
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 22-24/25-36/37/39-26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H335-H319-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
UsesS-Methyl-L-cysteine is a substrate in the catalytic antioxidant system mediated by methionine sulfoxide reductase A (MSRA). It has been studied as a theurapeutic for neurodegenerative diseases including Parkinson′s.
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: A cysteine derivative that is L-cysteine in which the hydrogen attached to the sulfur is replaced by a methyl group.
Related reactions
5 records
Compound notes
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