≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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.
Mycobacterium tuberculosis shikimate kinase inhibitors
| ALogP | 3.136 |
|---|---|
| Rotatable Bond | 3 |
| Pubchem Sid | 504760161 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504760161 |
| Canonical Smiles | CN1C(=NN=N1)SCC2=C(C=CC=C2Cl)Cl |
| IUPAC Name | 5-[(2,6-dichlorophenyl)methylsulfanyl]-1-methyltetrazole |
| InChIKey | AMQOBBXRFDBQIJ-UHFFFAOYSA-N |
| INCHI | 1S/C9H8Cl2N4S/c1-15-9(12-13-14-15)16-5-6-7(10)3-2-4-8(6)11/h2-4H,5H2,1H3 |
| Isomeric SMILES | CN1C(=NN=N1)SCC2=C(C=CC=C2Cl)Cl |
| PubChem CID | 791173 |
| Molecular Weight | 275.16 |
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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Halobenzenes |
| Intermediate Tree Nodes | Chlorobenzenes |
| Direct Parent | Dichlorobenzenes |
| Alternative Parents | Alkylarylthioethers Aryl chlorides Tetrazoles Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl thioether - 1,3-dichlorobenzene - Alkylarylthioether - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - Tetrazole - Azacycle - Organoheterocyclic compound - Thioether - Sulfenyl compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organosulfur compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 H2224602 | Certificate of Analysis | Jun 09, 2025 | W418192 |
| H2224603 | Certificate of Analysis | Jun 09, 2025 | W418192 |
| H2224604 | Certificate of Analysis | Jun 09, 2025 | W418192 |
| H2224605 | Certificate of Analysis | Jun 09, 2025 | W418192 |
| H2224606 | Certificate of Analysis | Jun 09, 2025 | W418192 |
| DMSO(mM) Max Solubility | 10 |
|---|---|
| Molecular Weight | 275.160 g/mol |
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 273.985 Da |
| Monoisotopic Mass | 273.985 Da |
| Topological Polar Surface Area | 68.900 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 224.000 |
| 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 |
