≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1=C(C=C(C(=C1S(=O)C2=C(C(=CC(=C2)Cl)Cl)O)O)Cl)Cl |
|---|---|
| IUPAC Name | 2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfinylphenol |
| InChIKey | RPAJWWXZIQJVJF-UHFFFAOYSA-N |
| INCHI | 1S/C12H6Cl4O3S/c13-5-1-7(15)11(17)9(3-5)20(19)10-4-6(14)2-8(16)12(10)18/h1-4,17-18H |
| Isomeric SMILES | C1=C(C=C(C(=C1S(=O)C2=C(C(=CC(=C2)Cl)Cl)O)O)Cl)Cl |
| Alternate CAS | 844-26-8 |
| PubChem CID | 68939 |
| NSC Number | 523910 |
| MeSH Entry Terms | bis(2-hydroxy-3,5-dichlorophenyl)sulfoxide;bis(3,5-dichloro-2-hydroxyphenyl)sulfoxide;bithionol sulfoxide;bithionol sulfoxide, monosodium salt;Bitin-S |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Phenyl sulfoxides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenyl sulfoxides |
| Alternative Parents | P-chlorophenols O-chlorophenols Dichlorobenzenes Aryl chlorides Sulfoxides Sulfinyl compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenyl sulfoxide - 1,3-dichlorobenzene - 4-chlorophenol - 4-halophenol - 2-halophenol - 2-chlorophenol - Chlorobenzene - Halobenzene - Phenol - Aryl chloride - Aryl halide - Sulfoxide - Sulfinyl compound - Organochloride - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenyl sulfoxides. These are organosulfur compounds containing a sulfoxide group substituted with a phenyl group. |
| External Descriptors | Not available |
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| Molecular Weight | 372.000 g/mol |
|---|---|
| XLogP3 | 5.100 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 371.876 Da |
| Monoisotopic Mass | 369.879 Da |
| Topological Polar Surface Area | 76.700 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 341.000 |
| 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 |
