≥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 | CC(C)(C)C1=CC=C(C=C1)C(=O)N2CSCC2C(=O)O |
|---|---|
| IUPAC Name | 3-(4-tert-butylbenzoyl)-1,3-thiazolidine-4-carboxylic acid |
| InChIKey | DWQBUXLRDLZXCD-UHFFFAOYSA-N |
| INCHI | 1S/C15H19NO3S/c1-15(2,3)11-6-4-10(5-7-11)13(17)16-9-20-8-12(16)14(18)19/h4-7,12H,8-9H2,1-3H3,(H,18,19) |
| Isomeric SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)N2CSCC2C(=O)O |
| PubChem CID | 3532210 |
| Molecular Weight | 293.38 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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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 |
| Direct Parent | Alpha amino acids and derivatives |
| Alternative Parents | Phenylpropanes Benzamides Benzoyl derivatives Thiazolidines Tertiary carboxylic acid amides Thiohemiaminal derivatives Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Alpha-amino acid or derivatives - Benzamide - Benzoic acid or derivatives - Phenylpropane - Benzoyl - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Thiazolidine - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid - Monocarboxylic acid or derivatives - Dialkylthioether - Hemithioaminal - Thioether - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof. |
| External Descriptors | Not available |
| Molecular Weight | 293.400 g/mol |
|---|---|
| XLogP3 | 3.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 293.109 Da |
| Monoisotopic Mass | 293.109 Da |
| Topological Polar Surface Area | 82.900 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 383.000 |
| 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 |
