≥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.
| Sonrisas canónicas | CC1=CC=C(C=C1)CSC2=NC3=C(CCCC3)C(=O)N2 |
|---|---|
| IUPAC Name | 2-[(4-methylphenyl)methylsulfanyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one |
| InChIKey | CSUYOKDMHBGZGF-UHFFFAOYSA-N |
| INCHI | 1S/C16H18N2OS/c1-11-6-8-12(9-7-11)10-20-16-17-14-5-3-2-4-13(14)15(19)18-16/h6-9H,2-5,10H2,1H3,(H,17,18,19) |
| Isómeros SMILES | CC1=CC=C(C=C1)CSC2=NC3=C(CCCC3)C(=O)N2 |
| PubChem CID | 135463918 |
| Peso molecular | 286.4 |
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 | Toluenes Pyrimidones Alkylarylthioethers Vinylogous amides Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Quinazoline - Aryl thioether - Pyrimidone - Toluene - Alkylarylthioether - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Vinylogous amide - Heteroaromatic compound - Sulfenyl compound - Thioether - Azacycle - Organic oxide - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Hydrocarbon derivative - 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 | 286.400 g/mol |
|---|---|
| XLogP3 | 3.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 286.114 Da |
| Monoisotopic Mass | 286.114 Da |
| Topological Polar Surface Area | 66.800 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 447.000 |
| 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 |
![2-[(4-Methylbenzyl)sulfanyl]-5,6,7,8-tetrahydro-4-quinazolinol - ≥90% , CAS No.338963-38-5](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)