≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | COC(=O)C(CCSC)NC(=O)OCC1=CC=CC=C1 |
|---|---|
| IUPAC Name | methyl (2S)-4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate |
| InChIKey | YGDBSBBHEWHVAJ-LBPRGKRZSA-N |
| INCHI | 1S/C14H19NO4S/c1-18-13(16)12(8-9-20-2)15-14(17)19-10-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3,(H,15,17)/t12-/m0/s1 |
| Isómeros SMILES | COC(=O)[C@H](CCSC)NC(=O)OCC1=CC=CC=C1 |
| Peso molecular | 297.4 |
| Reaxy-Rn | 3211583 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3211583&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Clase | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives - Alpha amino acids and derivatives |
| Direct Parent | Methionine and derivatives |
| Alternative Parents | Alpha amino acid esters Benzyloxycarbonyls Fatty acid esters Methyl esters Carbamate esters Sulfenyl compounds Monocarboxylic acids and derivatives Dialkylthioethers Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Methionine or derivatives - Alpha-amino acid ester - Benzyloxycarbonyl - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Methyl ester - Carbamic acid ester - Carboxylic acid ester - Dialkylthioether - Monocarboxylic acid or derivatives - Thioether - Sulfenyl compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as methionine and derivatives. These are compounds containing methionine or a derivative thereof resulting from reaction of methionine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. |
| External Descriptors | Not available |
| Peso molecular | 297.370 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 9 |
| Exact Mass | 297.103 Da |
| Monoisotopic Mass | 297.103 Da |
| Topological Polar Surface Area | 89.900 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 306.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
