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GRADE & PURITY ≥95%
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| Sonrisas canónicas | CC(C)N1C(=O)C=C(S1)Cl |
|---|---|
| IUPAC Name | 5-chloro-2-propan-2-yl-1,2-thiazol-3-one |
| InChIKey | PZDFSQVFKYPVDV-UHFFFAOYSA-N |
| INCHI | 1S/C6H8ClNOS/c1-4(2)8-6(9)3-5(7)10-8/h3-4H,1-2H3 |
| Peso molecular | 177.65 |
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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 | Vinylogous halides Thiazoles Heteroaromatic compounds Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl chloride - Azole - Thiazole - Heteroaromatic compound - Vinylogous halide - Lactam - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organic oxide - Organic oxygen compound - 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 | 177.650 g/mol |
|---|---|
| XLogP3 | 1.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 177.002 Da |
| Monoisotopic Mass | 177.002 Da |
| Topological Polar Surface Area | 45.600 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 190.000 |
| 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 |