≥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(C)C(=O)O)C(=O)OC |
|---|---|
| IUPAC Name | 2-[[3,5-bis(methoxycarbonyl)-4-methylthiophen-2-yl]sulfonylamino]propanoic acid |
| InChIKey | ZIZJPORRLBDXKM-UHFFFAOYSA-N |
| INCHI | 1S/C12H15NO8S2/c1-5-7(10(16)20-3)12(22-8(5)11(17)21-4)23(18,19)13-6(2)9(14)15/h6,13H,1-4H3,(H,14,15) |
| Isomeric SMILES | CC1=C(SC(=C1C(=O)OC)S(=O)(=O)NC(C)C(=O)O)C(=O)OC |
| PubChem CID | 3812045 |
| Molecular Weight | 365.37 |
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 | Alanine and derivatives |
| Alternative Parents | Thiophene carboxylic acids and derivatives Organosulfonamides Methyl esters Heteroaromatic compounds Aminosulfonyl compounds Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Alanine or derivatives - Thiophene carboxylic acid or derivatives - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Heteroaromatic compound - Sulfonyl - Methyl ester - Aminosulfonyl compound - Thiophene - Carboxylic acid ester - Carboxylic acid - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as alanine and derivatives. These are compounds containing alanine or a derivative thereof resulting from reaction of alanine 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 | 365.400 g/mol |
|---|---|
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 8 |
| Exact Mass | 365.024 Da |
| Monoisotopic Mass | 365.024 Da |
| Topological Polar Surface Area | 173.000 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 584.000 |
| 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]propanoic acid - ≥95% , CAS No.1008594-95-3](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)