≥95% 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 | CN1C=NN=C1SC2=C(C=C(C=C2)Cl)N |
|---|---|
| IUPAC Name | 5-chloro-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]aniline |
| InChIKey | ORIABKKRMMFJMW-UHFFFAOYSA-N |
| INCHI | 1S/C9H9ClN4S/c1-14-5-12-13-9(14)15-8-3-2-6(10)4-7(8)11/h2-5H,11H2,1H3 |
| Isomeric SMILES | CN1C=NN=C1SC2=C(C=C(C=C2)Cl)N |
| PubChem CID | 2452109 |
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 | Organosulfur compounds |
| Class | Thioethers |
| Subclass | Aryl thioethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diarylthioethers |
| Alternative Parents | Thiophenol ethers Aniline and substituted anilines Chlorobenzenes Aryl chlorides Triazoles Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Primary amines Organopnictogen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Diarylthioether - Thiophenol ether - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - 1,2,4-triazole - Azole - Organoheterocyclic compound - Azacycle - Sulfenyl compound - Hydrocarbon derivative - Organohalogen compound - Amine - Organochloride - Organonitrogen compound - Primary amine - Organic nitrogen compound - Organopnictogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as diarylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two aryl groups. |
| External Descriptors | Not available |
| Molecular Weight | 240.710 g/mol |
|---|---|
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 240.024 Da |
| Monoisotopic Mass | 240.024 Da |
| Topological Polar Surface Area | 82.000 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 218.000 |
| 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 |
