≥90% 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=CC=C(C=C1)C2=C(C(=C3N2CS(=O)(=O)C3)C(=O)OC)C(=O)OC |
|---|---|
| IUPAC Name | dimethyl 5-(4-methylphenyl)-2,2-dioxo-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate |
| InChIKey | HFHRDTIQKFHDMQ-UHFFFAOYSA-N |
| INCHI | 1S/C17H17NO6S/c1-10-4-6-11(7-5-10)15-14(17(20)24-3)13(16(19)23-2)12-8-25(21,22)9-18(12)15/h4-7H,8-9H2,1-3H3 |
| Isomeric SMILES | CC1=CC=C(C=C1)C2=C(C(=C3N2CS(=O)(=O)C3)C(=O)OC)C(=O)OC |
| PubChem CID | 1472036 |
| Molecular Weight | 363.39 |
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 | Pyrroles |
| Subclass | Substituted pyrroles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrroles |
| Alternative Parents | Pyrrole carboxylic acids and derivatives Toluenes Dicarboxylic acids and derivatives Vinylogous amides Sulfones Methyl esters Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 2-phenylpyrrole - Pyrrole-3-carboxylic acid or derivatives - Toluene - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Sulfone - Methyl ester - Heteroaromatic compound - Vinylogous amide - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond. |
| External Descriptors | Not available |
| Molecular Weight | 363.400 g/mol |
|---|---|
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 363.078 Da |
| Monoisotopic Mass | 363.078 Da |
| Topological Polar Surface Area | 100.000 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 634.000 |
| 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 |
![Dimethyl 5-(4-methylphenyl)-2,2-dioxo-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate - ≥90% , CAS No.337920-84-0](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)