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| Synonyms | 2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfanylphenol | 2,4-dichloro-6-(3,5-dichloro-2-hydroxy-phenyl)sulfanyl-phenol | Bithionol (JAN/INN) | Bithionol [INN:BAN:JAN:NF] | CP 3438 | Prevenol | B1T | DTXCID701342 | SMR000058374 | Actamer | KBio2_00307 |
|---|---|
| Specifications & Purity | Moligand™, ≥97% |
| Shipped In | Normal |
| Grade | Moligand™ |
| Action Type | ACTIVATOR, INHIBITOR |
| Mechanism of action | Inhibitor of N-Acylphosphatidylethanolamine-phospholipase D;Activator of K Na1.1 |
Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organosulfur compounds |
| Class | Thioethers |
| Subclass | Aryl thioethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diarylthioethers |
| Alternative Parents | Thiophenol ethers P-chlorophenols O-chlorophenols Dichlorobenzenes Aryl chlorides Sulfenyl compounds Organooxygen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Diarylthioether - 1,3-dichlorobenzene - 4-halophenol - 2-halophenol - 2-chlorophenol - 4-chlorophenol - Thiophenol ether - Chlorobenzene - Halobenzene - Phenol - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Benzenoid - Sulfenyl compound - Organooxygen compound - Organochloride - Organohalogen compound - Organic oxygen 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 | aryl sulfide - polyphenol - dichlorobenzene - organochlorine pesticide - bridged diphenyl fungicide - bridged diphenyl antifungal drug |
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| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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| Pubchem Sid | 488179702 |
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| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488179702 |
| IUPAC Name | 2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfanylphenol |
| INCHI | InChI=1S/C12H6Cl4O2S/c13-5-1-7(15)11(17)9(3-5)19-10-4-6(14)2-8(16)12(10)18/h1-4,17-18H |
| InChIKey | JFIOVJDNOJYLKP-UHFFFAOYSA-N |
| Smiles | C1=C(C=C(C(=C1SC2=C(C(=CC(=C2)Cl)Cl)O)O)Cl)Cl |
| Isomeric SMILES | C1=C(C=C(C(=C1SC2=C(C(=CC(=C2)Cl)Cl)O)O)Cl)Cl |
| WGK Germany | 3 |
| RTECS | SN0525000 |
| UN Number | 2811 |
| Packing Group | I |
| Molecular Weight | 356.05 |
| Beilstein | 2003535 |
| Reaxy-Rn | 2003535 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2003535&ln= |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Dec 09, 2024 | B101323 | |
| Certificate of Analysis | Apr 11, 2024 | B101323 | |
| Certificate of Analysis | Dec 22, 2023 | B101323 | |
| Certificate of Analysis | Dec 22, 2023 | B101323 | |
| Certificate of Analysis | Nov 16, 2023 | B101323 | |
| Certificate of Analysis | Nov 16, 2023 | B101323 |
| Melt Point(°C) | 185.5-186.5°C |
|---|---|
| Molecular Weight | 356.000 g/mol |
| XLogP3 | 5.800 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 355.881 Da |
| Monoisotopic Mass | 353.884 Da |
| Topological Polar Surface Area | 65.800 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 281.000 |
| 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 |