≥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.
| Canonical Smiles | CC1=CC2=C(C=C1)NC(=S)N(C2=O)C3=CC(=C(C=C3Cl)Cl)OC |
|---|---|
| IUPAC Name | 3-(2,4-dichloro-5-methoxyphenyl)-6-methyl-2-sulfanylidene-1H-quinazolin-4-one |
| InChIKey | HNBBGSTWEMABFO-UHFFFAOYSA-N |
| INCHI | 1S/C16H12Cl2N2O2S/c1-8-3-4-12-9(5-8)15(21)20(16(23)19-12)13-7-14(22-2)11(18)6-10(13)17/h3-7H,1-2H3,(H,19,23) |
| Isomeric SMILES | CC1=CC2=C(C=C1)NC(=S)N(C2=O)C3=CC(=C(C=C3Cl)Cl)OC |
| PubChem CID | 1484169 |
| Molecular Weight | 367.25 |
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 | Methoxyanilines Anisoles Dichlorobenzenes Methoxybenzenes Phenoxy compounds 2-Thiopyrimidines Alkyl aryl ethers Pyrimidinethiones Pyrimidones Aryl chlorides Vinylogous amides Heteroaromatic compounds Lactams Thioureas Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Quinazoline - Methoxyaniline - Anisole - 1,3-dichlorobenzene - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - 2-thiopyrimidine - Halobenzene - Pyrimidinethione - Pyrimidone - Thiopyrimidine - Monocyclic benzene moiety - Aryl halide - Pyrimidine - Benzenoid - Aryl chloride - Heteroaromatic compound - Vinylogous amide - Thiourea - Lactam - Azacycle - Ether - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic oxide - 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 |
| Molecular Weight | 367.200 g/mol |
|---|---|
| XLogP3 | 4.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 366 Da |
| Monoisotopic Mass | 366 Da |
| Topological Polar Surface Area | 73.700 Ų |
| Heavy Atom Count | 23 |
| 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 |
