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Molecule
(±)-Methionine
CAS: 59-51-8 · C5H11NO2S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 59-51-8
- Molecular Formula
- C5H11NO2S
- Molecular Mass
- 149.22 g/mol
Identifiers
CAS Registry Number
59-51-8
SMILES
CSCCC(N)C(=O)O
InChI Key
FFEARJCKVFRZRR-UHFFFAOYSA-N
InChI
InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
Names and Synonyms
- (±)-Methionine Synonym
- Methionine Synonym
- Methionine, DL- Synonym
- DL-Methionine Synonym
- α-Amino-γ-methylmercaptobutyric acid Synonym
- DL-2-Amino-4-(methylthio)butyric acid Synonym
- Banthionine Synonym
- Cynaron Synonym
- Dyprin Synonym
- Lobamine Synonym
- Meonine Synonym
- Methilanin Synonym
- Metione Synonym
- Neston Synonym
- (±)-Methionine Synonym
- Racemethionine Synonym
- Lactet Synonym
- Pedameth Synonym
- Urimeth Synonym
- Amurex Synonym
- NSC 9241 Synonym
- Meprom M 85 Synonym
- Rhodimet NP 99 Synonym
- Smartamine M Synonym
- Smartamine Synonym
- Timet Synonym
- MetAMINO Synonym
- MetiPEARL Synonym
- Acimetion Synonym
- 2-Amino-4-(methylthio)butanoic acid Synonym
- 2-Amino-4-(methylsulfanyl)butanoic acid Synonym
- 2-Azaniumyl-4-methylsulfanylbutanoate Synonym
- DL-Methionine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 149.22 g/mol | CAS Common Chemistry |
| 149.215 g/mol | RDKit | |
| 149.208 g/mol | chempirical lib | |
| Density | 1.30 g/cm³ | CAS Common Chemistry |
| 1.3 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | O=C(O)C(N)CCSC | CAS Common Chemistry |
| InChI | InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8) | CAS Common Chemistry |
| InChI Key | InChIKey=FFEARJCKVFRZRR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 281 °C (decomp) | CAS Common Chemistry |
| Name | (±)-Methionine | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 63.32000000000001 Ų | RDKit |
| 63.32 Ų | RDKit | |
| LogP | 0.1513999999999998 | RDKit |
| 0.1514 | RDKit | |
| Molar Refractivity | 38.61019999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 149.051049592 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 149.22 g/mol; density = 1.300 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H11NO2S.
