Determine the necessary mass, volume, or concentration for preparing a solution.
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
Moligand™, ≥98% Moligand™ 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.
| Pubchem Sid | 504761405 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504761405 |
| Canonical Smiles | C1=CC(=C(C(=C1)Cl)CSC2=NN=C(S2)C3=NC=CN=C3)Cl |
| IUPAC Name | 2-[(2,6-dichlorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-thiadiazole |
| InChIKey | BQNXBSYSQXSXPT-UHFFFAOYSA-N |
| INCHI | 1S/C13H8Cl2N4S2/c14-9-2-1-3-10(15)8(9)7-20-13-19-18-12(21-13)11-6-16-4-5-17-11/h1-6H,7H2 |
| Isomeric SMILES | C1=CC(=C(C(=C1)Cl)CSC2=NN=C(S2)C3=NC=CN=C3)Cl |
| PubChem CID | 2746822 |
| Molecular Weight | 355.27 |
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 Pyrazines Aryl chlorides Thiadiazoles 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 - Pyrazine - Azole - Heteroaromatic compound - Thiadiazole - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - 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 |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Jun 09, 2025 | Y287590 | |
| Certificate of Analysis | Jun 09, 2025 | Y287590 | |
| Certificate of Analysis | Jun 09, 2025 | Y287590 | |
| Certificate of Analysis | Jun 09, 2025 | Y287590 | |
| Certificate of Analysis | Mar 29, 2025 | Y287590 | |
| Certificate of Analysis | Mar 29, 2025 | Y287590 | |
| Certificate of Analysis | Mar 29, 2025 | Y287590 | |
| Certificate of Analysis | Mar 29, 2025 | Y287590 | |
| Certificate of Analysis | Mar 29, 2025 | Y287590 | |
| Certificate of Analysis | Mar 29, 2025 | Y287590 | |
| Certificate of Analysis | Mar 29, 2025 | Y287590 | |
| Certificate of Analysis | Mar 29, 2025 | Y287590 | |
| Certificate of Analysis | Mar 29, 2025 | Y287590 | |
| Certificate of Analysis | Jun 20, 2022 | Y287590 |
| Solubility | Solvent:DMSO, Max Conc. mg/mL: 7.11, Max Conc. mM: 20 |
|---|---|
| Molecular Weight | 355.300 g/mol |
| XLogP3 | 3.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 353.957 Da |
| Monoisotopic Mass | 353.957 Da |
| Topological Polar Surface Area | 105.000 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 329.000 |
| 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 |
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
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