≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | COC(=O)C1=C(SNC1=O)S(=O)(=O)C |
|---|---|
| IUPAC Name | methyl 5-methylsulfonyl-3-oxo-1,2-thiazole-4-carboxylate |
| InChIKey | UWITWVXLWLBPCU-UHFFFAOYSA-N |
| INCHI | 1S/C6H7NO5S2/c1-12-5(9)3-4(8)7-13-6(3)14(2,10)11/h1-2H3,(H,7,8) |
| Isomeric SMILES | COC(=O)C1=C(SNC1=O)S(=O)(=O)C |
| PubChem CID | 53412317 |
| Molecular Weight | 237.3 |
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 | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Thiazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thiazolecarboxylic acids and derivatives |
| Alternative Parents | Vinylogous amides Sulfones Methyl esters Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Thiazolecarboxylic acid or derivatives - Sulfone - Sulfonyl - Methyl ester - Vinylogous amide - Heteroaromatic compound - Lactam - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as thiazolecarboxylic acids and derivatives. These are heterocyclic compounds containing a thiazole ring which bears a carboxylic acid group (or a derivative thereof). |
| External Descriptors | Not available |
| Molecular Weight | 237.300 g/mol |
|---|---|
| XLogP3 | -0.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 236.977 Da |
| Monoisotopic Mass | 236.977 Da |
| Topological Polar Surface Area | 123.000 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 416.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
