| Sonrisas canónicas | CC1=CC=C(C=C1)S(=O)(=O)C2=C(SC(=N2)OC)Cl |
|---|---|
| IUPAC Name | 5-chloro-2-methoxy-4-(4-methylphenyl)sulfonyl-1,3-thiazole |
| InChIKey | IBUFTSRSNLUXSP-UHFFFAOYSA-N |
| INCHI | 1S/C11H10ClNO3S2/c1-7-3-5-8(6-4-7)18(14,15)10-9(12)17-11(13-10)16-2/h3-6H,1-2H3 |
| Peso molecular | 303.8 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Toluenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Tosyl compounds |
| Alternative Parents | Benzenesulfonyl compounds 2,4,5-trisubstituted thiazoles Alkyl aryl ethers Aryl chlorides Sulfones Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Tosyl compound - Benzenesulfonyl group - 2,4,5-trisubstituted 1,3-thiazole - Alkyl aryl ether - Aryl chloride - Aryl halide - Azole - Sulfone - Sulfonyl - Thiazole - Heteroaromatic compound - Ether - Organoheterocyclic compound - Azacycle - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as tosyl compounds. These are organosulfur compounds containing a tosyl group, with the general formula CH3C6H4S(O2)R (R = any atom). |
| External Descriptors | Not available |
| Peso molecular | 303.800 g/mol |
|---|---|
| XLogP3 | 3.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 302.979 Da |
| Monoisotopic Mass | 302.979 Da |
| Topological Polar Surface Area | 92.900 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 376.000 |
| 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 |
