≥98% 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=NN=C(NC1=O)SCC2=C(C=C(C=C2)Cl)Cl |
|---|---|
| IUPAC Name | 3-[(2,4-dichlorophenyl)methylsulfanyl]-6-methyl-4H-1,2,4-triazin-5-one |
| InChIKey | JBHRBFPAOPVRHM-UHFFFAOYSA-N |
| INCHI | 1S/C11H9Cl2N3OS/c1-6-10(17)14-11(16-15-6)18-5-7-2-3-8(12)4-9(7)13/h2-4H,5H2,1H3,(H,14,16,17) |
| Molecular Weight | 302.2 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Halobenzenes |
| Intermediate Tree Nodes | Chlorobenzenes |
| Direct Parent | Dichlorobenzenes |
| Alternative Parents | Alkylarylthioethers Aryl chlorides 1,2,4-triazines Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl thioether - 1,3-dichlorobenzene - Alkylarylthioether - Aryl chloride - Aryl halide - Triazine - 1,2,4-triazine - Heteroaromatic compound - Thioether - Sulfenyl compound - Organoheterocyclic compound - Azacycle - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it. |
| External Descriptors | Not available |
| Molecular Weight | 302.200 g/mol |
|---|---|
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 300.984 Da |
| Monoisotopic Mass | 300.984 Da |
| Topological Polar Surface Area | 79.100 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 400.000 |
| 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 |
