≥95% 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 | CC(C)(C)C1=CC=C(C=C1)N2C(=NC#N)SC(=N2)C(=O)NC3=CC=CC=C3Cl |
|---|---|
| IUPAC Name | 4-(4-tert-butylphenyl)-N-(2-chlorophenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxamide |
| InChIKey | SLLYWGNUFXKKSD-UHFFFAOYSA-N |
| INCHI | 1S/C20H18ClN5OS/c1-20(2,3)13-8-10-14(11-9-13)26-19(23-12-22)28-18(25-26)17(27)24-16-7-5-4-6-15(16)21/h4-11H,1-3H3,(H,24,27) |
| Molecular Weight | 411.900 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Anilides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aromatic anilides |
| Alternative Parents | Phenylpropanes 2-heteroaryl carboxamides Chlorobenzenes Aryl chlorides Thiadiazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aromatic anilide - Phenylpropane - 2-heteroaryl carboxamide - Chlorobenzene - Halobenzene - Aryl halide - Aryl chloride - Azole - Heteroaromatic compound - Thiadiazole - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organochloride - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aromatic anilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with an aromatic group. They have the general structure RNC(=O)R', where R= benzene, and R = aryl group. |
| External Descriptors | Not available |
| Molecular Weight | 411.900 g/mol |
|---|---|
| XLogP3 | 5.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 411.092 Da |
| Monoisotopic Mass | 411.092 Da |
| Topological Polar Surface Area | 106.000 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 699.000 |
| 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 |
