≥97% 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(=NNC1=S)CN2C=NC(=C2Cl)Cl |
|---|---|
| IUPAC Name | 3-[(4,5-dichloroimidazol-1-yl)methyl]-4-methyl-1H-1,2,4-triazole-5-thione |
| InChIKey | JIFYHCAKBJLMHL-UHFFFAOYSA-N |
| INCHI | 1S/C7H7Cl2N5S/c1-13-4(11-12-7(13)15)2-14-3-10-5(8)6(14)9/h3H,2H2,1H3,(H,12,15) |
| Isomeric SMILES | CN1C(=NNC1=S)CN2C=NC(=C2Cl)Cl |
| PubChem CID | 2736097 |
| Molecular Weight | 264.14 |
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 | Organohalogen compounds |
| Class | Aryl halides |
| Subclass | Aryl chlorides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aryl chlorides |
| Alternative Parents | N-substituted imidazoles Triazolines Triazoles Heteroaromatic compounds Azacyclic compounds Organosulfur compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl chloride - N-substituted imidazole - Azole - Imidazole - 1,2,4-triazole - Heteroaromatic compound - Triazoline - Organoheterocyclic compound - Azacycle - Organosulfur compound - Organonitrogen compound - Organochloride - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aryl chlorides. These are organic compounds containing the acyl chloride functional group. |
| External Descriptors | Not available |
| Molecular Weight | 264.130 g/mol |
|---|---|
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 262.98 Da |
| Monoisotopic Mass | 262.98 Da |
| Topological Polar Surface Area | 77.500 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 310.000 |
| 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 |
![5-[(4,5-Dichloro-1H-imidazol-1-yl)methyl]-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione - ≥97% , CAS No.175202-31-0](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)