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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.
| Sonrisas canónicas | C(SC1=NC(=NS1)Cl)S(=O)C2=NC(=NS2)Cl |
|---|---|
| IUPAC Name | 3-chloro-5-[(3-chloro-1,2,4-thiadiazol-5-yl)sulfinylmethylsulfanyl]-1,2,4-thiadiazole |
| InChIKey | VZASSEQPMUAGIB-UHFFFAOYSA-N |
| INCHI | 1S/C5H2Cl2N4OS4/c6-2-8-4(14-10-2)13-1-16(12)5-9-3(7)11-15-5/h1H2 |
| Peso molecular | 333.300 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organosulfur compounds |
| Clase | Thioethers |
| Subclass | Aryl thioethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aryl thioethers |
| Alternative Parents | Alkylarylthioethers Aryl chlorides Thiadiazoles Heteroaromatic compounds Sulfoxides Sulfinyl compounds Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl thioether - Alkylarylthioether - Aryl chloride - Aryl halide - Azole - Thiadiazole - Heteroaromatic compound - Sulfoxide - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Sulfinyl compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organochloride - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group. |
| External Descriptors | Not available |
| Peso molecular | 333.300 g/mol |
|---|---|
| XLogP3 | 3.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 4 |
| Exact Mass | 331.849 Da |
| Monoisotopic Mass | 331.849 Da |
| Topological Polar Surface Area | 170.000 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 275.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |