for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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.
| Sonrisas canónicas | CC1=CC2=C(C=C1)SCC(C2=O)NC(=O)C3=CC(=C(C=C3)Cl)Cl |
|---|---|
| IUPAC Name | 3,4-dichloro-N-(6-methyl-4-oxo-2,3-dihydrothiochromen-3-yl)benzamide |
| InChIKey | FMLLEKBBEOZUAZ-UHFFFAOYSA-N |
| INCHI | 1S/C17H13Cl2NO2S/c1-9-2-5-15-11(6-9)16(21)14(8-23-15)20-17(22)10-3-4-12(18)13(19)7-10/h2-7,14H,8H2,1H3,(H,20,22) |
| Isómeros SMILES | CC1=CC2=C(C=C1)SCC(C2=O)NC(=O)C3=CC(=C(C=C3)Cl)Cl |
| PubChem CID | 3743058 |
| Peso molecular | 366.27 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Halobenzoic acids and derivatives |
| Direct Parent | 4-halobenzoic acids and derivatives |
| Alternative Parents | Thiochromanes 3-halobenzoic acids and derivatives 1-benzothiopyrans Benzamides Aryl alkyl ketones Dichlorobenzenes Benzoyl derivatives Alkylarylthioethers Vinylogous thioesters Thiopyrans Aryl chlorides Secondary carboxylic acid amides Organic oxides Organochlorides Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Thiochromane - 3-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Benzamide - 1-benzothiopyran - Benzothiopyran - Benzoyl - 1,2-dichlorobenzene - Aryl thioether - Aryl ketone - Aryl alkyl ketone - Alkylarylthioether - Chlorobenzene - Halobenzene - Vinylogous thioester - Thiopyran - Aryl chloride - Aryl halide - Carboxamide group - Secondary carboxylic acid amide - Ketone - Organoheterocyclic compound - Thioether - Carboxylic acid derivative - Organohalogen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring. |
| External Descriptors | Not available |
| Peso molecular | 366.300 g/mol |
|---|---|
| XLogP3 | 4.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 365.004 Da |
| Monoisotopic Mass | 365.004 Da |
| Topological Polar Surface Area | 71.500 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 476.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
