| Canonical Smiles | CC1=CC(=C(C=C1)SC2=C(C=C(C=C2)Cl)N)C |
|---|---|
| IUPAC Name | 5-chloro-2-(2,4-dimethylphenyl)sulfanylaniline |
| InChIKey | UBVXYMCCJBSXIT-UHFFFAOYSA-N |
| INCHI | 1S/C14H14ClNS/c1-9-3-5-13(10(2)7-9)17-14-6-4-11(15)8-12(14)16/h3-8H,16H2,1-2H3 |
| Molecular Weight | 263.8 |
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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 | Diarylthioethers |
| Alternative Parents | m-Xylenes Thiophenol ethers Aniline and substituted anilines Chlorobenzenes Aryl chlorides Sulfenyl compounds Primary amines Organopnictogen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Diarylthioether - Thiophenol ether - M-xylene - Xylene - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Sulfenyl compound - Organic nitrogen compound - Primary amine - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Organopnictogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Description | 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 |
| Molecular Weight | 263.800 g/mol |
|---|---|
| XLogP3 | 4.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 263.054 Da |
| Monoisotopic Mass | 263.054 Da |
| Topological Polar Surface Area | 51.300 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 248.000 |
| 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 |
