Determine the necessary mass, volume, or concentration for preparing a solution.
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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.
| ALogP | 4.7 |
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| Sonrisas canónicas | C1=CC2=C(C=C1Cl)SC(=C2Cl)C(=O)NC3=NC=CS3 |
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| IUPAC Name | 3,6-dichloro-N-(1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide |
| InChIKey | RMBBGYYJTMLZBI-UHFFFAOYSA-N |
| INCHI | 1S/C12H6Cl2N2OS2/c13-6-1-2-7-8(5-6)19-10(9(7)14)11(17)16-12-15-3-4-18-12/h1-5H,(H,15,16,17) |
| Isómeros SMILES | C1=CC2=C(C=C1Cl)SC(=C2Cl)C(=O)NC3=NC=CS3 |
| PubChem CID | 767374 |
| Peso molecular | 329.2 |
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 | Organoheterocyclic compounds |
| Clase | Benzothiophenes |
| Subclass | 1-benzothiophenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 1-benzothiophenes |
| Alternative Parents | Thiophene carboxamides 2-heteroaryl carboxamides Benzenoids Aryl chlorides Vinylogous halides Thiazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 1-benzothiophene - 2-heteroaryl carboxamide - Thiophene carboxylic acid or derivatives - Thiophene carboxamide - Aryl chloride - Aryl halide - Benzenoid - Azole - Heteroaromatic compound - Vinylogous halide - Thiophene - Thiazole - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as 1-benzothiophenes. These are aromatic heterocyclic compound containing the Benzo[b]thiophene ring system. |
| External Descriptors | Not available |
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| Peso molecular | 329.200 g/mol |
|---|---|
| XLogP3 | 4.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 327.93 Da |
| Monoisotopic Mass | 327.93 Da |
| Topological Polar Surface Area | 98.500 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 361.000 |
| 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 |