| Sonrisas canónicas | CC1=C(C=C(C=C1)Br)SC |
|---|---|
| IUPAC Name | 4-bromo-1-methyl-2-methylsulfanylbenzene |
| InChIKey | BTJYDFNXIOKYJM-UHFFFAOYSA-N |
| INCHI | 1S/C8H9BrS/c1-6-3-4-7(9)5-8(6)10-2/h3-5H,1-2H3 |
| Isómeros SMILES | CC1=C(C=C(C=C1)Br)SC |
| PubChem CID | 46739311 |
| Peso molecular | 217.13 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 | Thiophenol ethers Toluenes Bromobenzenes Alkylarylthioethers Aryl bromides Sulfenyl compounds Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Aryl thioether - Thiophenol ether - Alkylarylthioether - Toluene - Halobenzene - Bromobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Sulfenyl compound - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic homomonocyclic 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 | 217.130 g/mol |
|---|---|
| XLogP3 | 3.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 215.961 Da |
| Monoisotopic Mass | 215.961 Da |
| Topological Polar Surface Area | 25.300 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 105.000 |
| 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 |
