| Canonical Smiles | CCCSC1=CC=C(C=C1)Cl |
|---|---|
| IUPAC Name | 1-chloro-4-propylsulfanylbenzene |
| InChIKey | UIVFJAFRNBDAEM-UHFFFAOYSA-N |
| INCHI | 1S/C9H11ClS/c1-2-7-11-9-5-3-8(10)4-6-9/h3-6H,2,7H2,1H3 |
| Molecular Weight | 186.700 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organosulfur compounds |
| Class | Thioethers |
| Subclass | Aryl thioethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aryl thioethers |
| Alternative Parents | Thiophenol ethers Chlorobenzenes Alkylarylthioethers Aryl chlorides Sulfenyl compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Aryl thioether - Thiophenol ether - Alkylarylthioether - Halobenzene - Chlorobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Sulfenyl compound - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound |
| Description | 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 |
| Molecular Weight | 186.700 g/mol |
|---|---|
| XLogP3 | 4.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 3 |
| Exact Mass | 186.027 Da |
| Monoisotopic Mass | 186.027 Da |
| Topological Polar Surface Area | 25.300 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 97.700 |
| 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 |
