≥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.
| Sonrisas canónicas | C1=CC(=CC=C1N2C(=O)C3=C(C=C(C=C3)C(=O)O)NC2=S)F |
|---|---|
| IUPAC Name | 3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid |
| InChIKey | DMTJRAMZAUQCGF-UHFFFAOYSA-N |
| INCHI | 1S/C15H9FN2O3S/c16-9-2-4-10(5-3-9)18-13(19)11-6-1-8(14(20)21)7-12(11)17-15(18)22/h1-7H,(H,17,22)(H,20,21) |
| Isómeros SMILES | C1=CC(=CC=C1N2C(=O)C3=C(C=C(C=C3)C(=O)O)NC2=S)F |
| PubChem CID | 3324451 |
| Peso molecular | 316.31 |
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 |
| Clase | Diazanaphthalenes |
| Subclass | Benzodiazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Quinazolines |
| Alternative Parents | 2-Thiopyrimidines Fluorobenzenes Pyrimidinethiones Pyrimidones Aryl fluorides Heteroaromatic compounds Vinylogous amides Lactams Thioureas Azacyclic compounds Carboxylic acids Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Quinazoline - Fluorobenzene - 2-thiopyrimidine - Halobenzene - Thiopyrimidine - Pyrimidinethione - Pyrimidone - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Vinylogous amide - Heteroaromatic compound - Thiourea - Lactam - Carboxylic acid - Azacycle - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organosulfur compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring. |
| External Descriptors | Not available |
| Peso molecular | 316.300 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 316.032 Da |
| Monoisotopic Mass | 316.032 Da |
| Topological Polar Surface Area | 102.000 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 493.000 |
| 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 |
