Basic information
- CAS
7314-32-1- Standard SMILES
CS(=O)(=O)CC[C@H](N)C(=O)O- InChIKey
UCUNFLYVYCGDHP-BYPYZUCNSA-N- Molecular formula
- C5H11NO4S
- Average molar mass
- 181.21 g/mol
- Monoisotopic mass
- 181.04087901
Overview
L-methionine sulfone is an L-methionine derivative in which the sulfur has been oxidised to the corresponding sulfone. It has a role as an animal metabolite. It is a methionine sulfone, a non-proteinogenic L-alpha-amino acid and a L-methionine derivative. It is a tautomer of a methionine sulfone zwitterion.
Names & identifiers
- Preferred name
- Methionine Sulfone
- IUPAC
- (2S)-2-amino-4-methylsulfonylbutanoic acid
- English name
- L-Methionine sulfone
- Molecular formula
- C5H11NO4S
- Molecular weight
- 181.21
Names & synonyms
Methionine sulfoneV3Z9QH81BXDTXSID50875588CHEBI:132188RefChem:797229DTXCID401013709230-774-7L-Methionine sulfone7314-32-1(S)-2-Amino-4-(methylsulfonyl)butanoic acidS-DIOXYMETHIONINE(2S)-2-amino-4-methylsulfonylbutanoic acid
Show more names
L-Met(O2)-OHH-L-MET(O2)-OHMETHIONINE(O2)-OHL-LOBAMINE SULFONEMETHIONINESULFOXIDEL-BANTHIONINE SULFONEL-METHIONINE SULPHONETryptophan Impurity 4
MFCD00066020Methionine EP Impurity BL-2-Amino-4-(methylsulfonyl)butanoic acid(S)-Amino-4-(methylsulphonyl)butyric acid(2S)-2-amino-4-(methylsulfonyl)butanoic acidEINECS 230-774-7H-Met(O2)-OH(2S)-2-amino-4-methanesulfonylbutanoic acid
Database identifiers
- CAS
7314-32-1- PubChem CID
- 445282
- DTXSID
DTXSID301350027- ChEMBL
Properties
Computed structural properties
- XLogP
- -3.1
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 227
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Melting point
- 275 °C · ~275 °C (dec.)
- Boiling point
- 450.5 · 450.5±40.0 °C(Predicted)
- Density
- 1.385 · 1.385±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- Aqueous Acid (Sparingly), Water (Sparingly, Heated, Sonicated)
- pka
- 2.1 · 2.10±0.10(Predicted)
- form
- Powder
- color
- White to off-white
- BRN
- 1725510 · 1725510
- Major Application
- detectionpeptide synthesis
- InChI
- 1S/C5H11NO4S/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
- InChIKey
- UCUNFLYVYCGDHP-BYPYZUCNSA-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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesL-Methionine Sulfone is an impurity of L-Methionine (M260440) which is an essential aminoacid for human development. L-Methionine is a hepatoprotectant, an antidote (acetominophen poisoning) and a urinary acidifier.
Suppliers92 total
北京华美互利生物化工010-56205725 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
江苏生康迈翔科技有限公司18217475093 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
南通小竹生物医药有限公司18015606981 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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