| Sonrisas canónicas | C1=CSC(=C1)C2=NSC(=N2)Cl |
|---|---|
| IUPAC Name | 5-chloro-3-thiophen-2-yl-1,2,4-thiadiazole |
| InChIKey | MRMAZVGSIMWZOZ-UHFFFAOYSA-N |
| INCHI | 1S/C6H3ClN2S2/c7-6-8-5(9-11-6)4-2-1-3-10-4/h1-3H |
| Isómeros SMILES | C1=CSC(=C1)C2=NSC(=N2)Cl |
| PubChem CID | 2735823 |
| Peso molecular | 202.69 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organohalogen compounds |
| Clase | Aryl halides |
| Subclass | Aryl chlorides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aryl chlorides |
| Alternative Parents | Thiophenes Thiadiazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl chloride - Heteroaromatic compound - Thiophene - Thiadiazole - Azole - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Aromatic heteromonocyclic compound |
| Descripción | 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 |
| Peso molecular | 202.700 g/mol |
|---|---|
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 201.943 Da |
| Monoisotopic Mass | 201.943 Da |
| Topological Polar Surface Area | 82.300 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 147.000 |
| 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 |
