10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs 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.
neuroprotective effects; altering the lifespan of a eukaryotic organism;
| ALogP | 4.3 |
|---|---|
| Rotatable Bond | 4 |
| Canonical Smiles | CC1=C2C=C(C=CC2=NC(=N1)SCC3=CC=CC=C3)OC |
|---|---|
| IUPAC Name | 2-benzylsulfanyl-6-methoxy-4-methylquinazoline |
| InChIKey | LVBNIVRKMJLXHU-UHFFFAOYSA-N |
| INCHI | 1S/C17H16N2OS/c1-12-15-10-14(20-2)8-9-16(15)19-17(18-12)21-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3 |
| Isomeric SMILES | CC1=C2C=C(C=CC2=NC(=N1)SCC3=CC=CC=C3)OC |
| PubChem CID | 897291 |
| Molecular Weight | 296.39 |
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 | Diazanaphthalenes |
| Subclass | Benzodiazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Quinazolines |
| Alternative Parents | Anisoles Alkylarylthioethers Alkyl aryl ethers Pyrimidines and pyrimidine derivatives Benzene and substituted derivatives Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Quinazoline - Aryl thioether - Anisole - Alkyl aryl ether - Alkylarylthioether - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Ether - Azacycle - Thioether - Sulfenyl compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound |
| Description | 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 |
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| DMSO(mM) Max Solubility | 10 |
|---|---|
| Molecular Weight | 296.400 g/mol |
| XLogP3 | 4.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 296.098 Da |
| Monoisotopic Mass | 296.098 Da |
| Topological Polar Surface Area | 60.300 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 322.000 |
| 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 |
