| Sonrisas canónicas | C1=CC(=CC=C1F)SC2=C(C=C(C=C2)Cl)N |
|---|---|
| IUPAC Name | 5-chloro-2-(4-fluorophenyl)sulfanylaniline |
| InChIKey | CRZYJKQLOBCQQV-UHFFFAOYSA-N |
| INCHI | 1S/C12H9ClFNS/c13-8-1-6-12(11(15)7-8)16-10-4-2-9(14)3-5-10/h1-7H,15H2 |
| Peso molecular | 253.72 |
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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 | Diarylthioethers |
| Alternative Parents | Thiophenol ethers Aniline and substituted anilines Fluorobenzenes Chlorobenzenes Aryl fluorides Aryl chlorides Sulfenyl compounds Primary amines Organofluorides Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Diarylthioether - Aniline or substituted anilines - Thiophenol ether - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Sulfenyl compound - Organochloride - Organofluoride - Organonitrogen compound - Primary amine - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as diarylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two aryl groups. |
| External Descriptors | Not available |
| Peso molecular | 253.720 g/mol |
|---|---|
| XLogP3 | 4.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 253.013 Da |
| Monoisotopic Mass | 253.013 Da |
| Topological Polar Surface Area | 51.300 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 221.000 |
| 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 |
![5-Chloro-2-[(4-fluorophenyl)sulfanyl]aniline - ≥95% , CAS No.790263-67-1](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)