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S-Methyl-L-cysteine

CAT: 0607-C7066-200Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0607-C7066-200Size:200 mg
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CAS Number
1187-84-4
Product Name Alternative
(R)-2-amino-3-(methylthio)propanoic acid
Sequence
L-S-Methylcysteine
Field of Research
Immunology Inflammation Reactive Oxygen Species
Purity
0.98
Solubility
Insoluble in DMSO; insoluble in EtOH; ≥25.5 mg/mL in H2O
Smiles
N[C@H](C(O)=O)CSC
Molecular Formula
C4H9NO2S
Molecular Weight
135.18
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

(-)-S-Methyl-L-cysteine

S-methylcysteine is a cysteine derivative that is L-cysteine in which the hydrogen attached to the sulfur is replaced by a methyl group. It has a role as a plant metabolite and a human urinary metabolite. It is a tautomer of a S-methylcysteine zwitterion.

CAS Number1187-84-4
PubChem CID24417
IUPAC Name(2R)-2-amino-3-methylsulfanylpropanoic acid
Molecular FormulaC4H9NO2S
Molecular Weight135.19
XLogP-2.7
Topological Polar Surface Area88.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count8
Formal Charge0
Complexity86
SMILES
CSC[C@@H](C(=O)O)N
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
Chemical Structure
2D Structure
2D structure of (-)-S-Methyl-L-cysteine
CAS: 1187-84-4
CID: 24417
Formula: C4H9NO2S
MW: 135.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight135.19
XLogP3-2.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass135.03539970
Monoisotopic Mass135.03539970
Topological Polar Surface Area88.6 Ų
Heavy Atom Count8
Formal Charge0
Complexity86.1
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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