≥90% 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=C2CS(=O)(=O)CN2C(=C1C(=O)OC)C3=CC=C(C=C3)Cl |
|---|---|
| IUPAC Name | dimethyl 5-(4-chlorophenyl)-2,2-dioxo-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate |
| InChIKey | BWBPQFUWGIJUIM-UHFFFAOYSA-N |
| INCHI | 1S/C16H14ClNO6S/c1-23-15(19)12-11-7-25(21,22)8-18(11)14(13(12)16(20)24-2)9-3-5-10(17)6-4-9/h3-6H,7-8H2,1-2H3 |
| Isomeric SMILES | COC(=O)C1=C2CS(=O)(=O)CN2C(=C1C(=O)OC)C3=CC=C(C=C3)Cl |
| PubChem CID | 1486676 |
| Molecular Weight | 383.81 |
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 Chlorobenzenes Dicarboxylic acids and derivatives Aryl chlorides Vinylogous amides Sulfones Methyl esters Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 2-phenylpyrrole - Pyrrole-3-carboxylic acid or derivatives - Chlorobenzene - Halobenzene - Aryl halide - Monocyclic benzene moiety - Benzenoid - Dicarboxylic acid or derivatives - Aryl chloride - Heteroaromatic compound - Vinylogous amide - Methyl ester - Sulfone - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen 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 | 383.800 g/mol |
|---|---|
| XLogP3 | 1.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 383.023 Da |
| Monoisotopic Mass | 383.023 Da |
| Topological Polar Surface Area | 100.000 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 640.000 |
| 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-chlorophenyl)-2,2-dioxo-2,3-dihydro-1H-2lambda~6~-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate - ≥90% , CAS No.339102-19-1](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)