≥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 | CC1=C(SC(=C1C(=O)OC)S(=O)(=O)NC(CCSC)C(=O)O)C(=O)OC |
|---|---|
| IUPAC Name | 2-[[3,5-bis(methoxycarbonyl)-4-methylthiophen-2-yl]sulfonylamino]-4-methylsulfanylbutanoic acid |
| InChIKey | YTJKBBDBJDDGEQ-UHFFFAOYSA-N |
| INCHI | 1S/C14H19NO8S3/c1-7-9(12(18)22-2)14(25-10(7)13(19)23-3)26(20,21)15-8(11(16)17)5-6-24-4/h8,15H,5-6H2,1-4H3,(H,16,17) |
| Molecular Weight | 425.5 |
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 - Alpha amino acids and derivatives |
| Direct Parent | Methionine and derivatives |
| Alternative Parents | Thiophene carboxylic acids and derivatives Thia fatty acids Organosulfonamides Methyl esters Heteroaromatic compounds Aminosulfonyl compounds Sulfenyl compounds Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Methionine or derivatives - Thiophene carboxylic acid or derivatives - Thia fatty acid - Organosulfonic acid amide - Fatty acyl - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Thiophene - Aminosulfonyl compound - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Thioether - Carboxylic acid - Sulfenyl compound - Dialkylthioether - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxide - Aromatic heteromonocyclic 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 | 425.500 g/mol |
|---|---|
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 11 |
| Exact Mass | 425.027 Da |
| Monoisotopic Mass | 425.027 Da |
| Topological Polar Surface Area | 198.000 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 633.000 |
| 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 |
![2-[3,5-Bis(methoxycarbonyl)-4-methylthiophene-2-sulfonamido]-4-(methylsulfanyl)butanoic acid - ≥95% , CAS No.1008016-91-8](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)