≥95% 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.
| Canonical Smiles | COC(=O)C(CCSC)NCC1=CC=CC=C1.Cl |
|---|---|
| IUPAC Name | methyl (2S)-2-(benzylamino)-4-methylsulfanylbutanoate;hydrochloride |
| InChIKey | PELBNOHMQZOBAL-YDALLXLXSA-N |
| INCHI | 1S/C13H19NO2S.ClH/c1-16-13(15)12(8-9-17-2)14-10-11-6-4-3-5-7-11;/h3-7,12,14H,8-10H2,1-2H3;1H/t12-;/m0./s1 |
| Isomeric SMILES | COC(=O)[C@H](CCSC)NCC1=CC=CC=C1.Cl |
| PubChem CID | 56777090 |
| Molecular Weight | 289.8 |
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 |
| Class | 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 Phenylmethylamines Benzylamines Fatty acid esters Aralkylamines Methyl esters Sulfenyl compounds Monocarboxylic acids and derivatives Dialkylthioethers Dialkylamines Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Methionine or derivatives - Alpha-amino acid ester - Benzylamine - Phenylmethylamine - Fatty acid ester - Aralkylamine - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Methyl ester - Carboxylic acid ester - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Dialkylthioether - Secondary amine - Thioether - Sulfenyl compound - Organonitrogen compound - Amine - Hydrochloride - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Carbonyl group - Aromatic homomonocyclic compound |
| Description | 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 |
| Molecular Weight | 289.820 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 8 |
| Exact Mass | 289.09 Da |
| Monoisotopic Mass | 289.09 Da |
| Topological Polar Surface Area | 63.600 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 217.000 |
| 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 | 2 |
