for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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 | CCOC1=CC=C(C=C1)C2N(C(=O)CS2)C3=C(N(N(C3=O)C4=CC=CC=C4)C)C |
|---|---|
| IUPAC Name | 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-ethoxyphenyl)-1,3-thiazolidin-4-one |
| InChIKey | ROXNUEHAHRJFNS-UHFFFAOYSA-N |
| INCHI | 1S/C22H23N3O3S/c1-4-28-18-12-10-16(11-13-18)22-24(19(26)14-29-22)20-15(2)23(3)25(21(20)27)17-8-6-5-7-9-17/h5-13,22H,4,14H2,1-3H3 |
| Molecular Weight | 409.5 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Pyrazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrazoles |
| Alternative Parents | Phenol ethers Phenoxy compounds Alkyl aryl ethers Pyrazolones Vinylogous amides Heteroaromatic compounds Thiazolidines Tertiary carboxylic acid amides Lactams Azacyclic compounds Dialkylthioethers Organic oxides Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylpyrazole - Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Pyrazolinone - Benzenoid - Heteroaromatic compound - Vinylogous amide - Tertiary carboxylic acid amide - Thiazolidine - Carboxamide group - Lactam - Carboxylic acid derivative - Ether - Azacycle - Dialkylthioether - Thioether - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organopnictogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 409.500 g/mol |
|---|---|
| XLogP3 | 4.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 409.146 Da |
| Monoisotopic Mass | 409.146 Da |
| Topological Polar Surface Area | 78.400 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 668.000 |
| 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 |
