≥98%(T) 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.
| Pubchem Sid | 488190302 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488190302 |
| Canonical Smiles | CC(=O)NC(CSCC1=CC=CC=C1)C(=O)O |
| IUPAC Name | 2-acetamido-3-benzylsulfanylpropanoic acid |
| InChIKey | BJUXDERNWYKSIQ-UHFFFAOYSA-N |
| INCHI | 1S/C12H15NO3S/c1-9(14)13-11(12(15)16)8-17-7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,13,14)(H,15,16) |
| Isomeric SMILES | CC(=O)NC(CSCC1=CC=CC=C1)C(=O)O |
| Molecular Weight | 253.32 |
| Reaxy-Rn | 2130463 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2130463&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 |
| Class | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives - Alpha amino acids and derivatives - N-acyl-alpha amino acids and derivatives |
| Direct Parent | N-acyl-alpha amino acids |
| Alternative Parents | Cysteine and derivatives Benzene and substituted derivatives Acetamides Secondary carboxylic acid amides Sulfenyl compounds Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | N-acyl-alpha-amino acid - Cysteine or derivatives - Monocyclic benzene moiety - Benzenoid - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid - Monocarboxylic acid or derivatives - Thioether - Sulfenyl compound - Dialkylthioether - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 D23081365 | Certificate of Analysis | Feb 23, 2023 | N159754 |
| D23081385 | Certificate of Analysis | Feb 23, 2023 | N159754 |
| D23081387 | Certificate of Analysis | Feb 23, 2023 | N159754 |
| D23081397 | Certificate of Analysis | Feb 23, 2023 | N159754 |
| D23081398 | Certificate of Analysis | Feb 23, 2023 | N159754 |
| D23081399 | Certificate of Analysis | Feb 23, 2023 | N159754 |
| Solubility | almost transparency（in Methanol） |
|---|---|
| Melt Point(°C) | 156 °C |
| Molecular Weight | 253.320 g/mol |
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 253.077 Da |
| Monoisotopic Mass | 253.077 Da |
| Topological Polar Surface Area | 91.700 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 264.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
