≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Desiccated,Store at -80°C Ships Dry ice packs + Cold packs 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.
S-Phenylmercapturic acid, a metabolite of benzene, can be used as a biomarker, identified by GC, HPLC (UV or fluorescence detection), GC-MS, LC-MS/MS or immunoassay.
| Canonical Smiles | CC(=O)NC(CSC1=CC=CC=C1)C(=O)O |
|---|---|
| IUPAC Name | (2R)-2-acetamido-3-phenylsulfanylpropanoic acid |
| InChIKey | CICOZWHZVMOPJS-JTQLQIEISA-N |
| INCHI | 1S/C11H13NO3S/c1-8(13)12-10(11(14)15)7-16-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1 |
| Isomeric SMILES | CC(=O)N[C@@H](CSC1=CC=CC=C1)C(=O)O |
| WGK Germany | 3 |
| PubChem CID | 2723735 |
| Molecular Weight | 239.29 |
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 - N-acyl-alpha amino acids |
| Direct Parent | N-acyl-L-alpha-amino acids |
| Alternative Parents | Cysteine and derivatives Thiophenol ethers Alkylarylthioethers Benzene and substituted derivatives Acetamides Secondary carboxylic acid amides Sulfenyl compounds Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | N-acyl-l-alpha-amino acid - Cysteine or derivatives - Aryl thioether - Thiophenol ether - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid - Monocarboxylic acid or derivatives - Thioether - Sulfenyl compound - Organopnictogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as n-acyl-l-alpha-amino acids. These are n-acylated alpha amino acids which have the L-configuration of the alpha-carbon atom. |
| External Descriptors | Not available |
