≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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 | CCOC(=O)NC(=O)C1=C(SC=C1)NC(=O)C2=NC3=CC=CC=C3S2 |
|---|---|
| IUPAC Name | ethyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate |
| InChIKey | ISNBJLXHBBZKSL-UHFFFAOYSA-N |
| INCHI | 1S/C16H13N3O4S2/c1-2-23-16(22)19-12(20)9-7-8-24-14(9)18-13(21)15-17-10-5-3-4-6-11(10)25-15/h3-8H,2H2,1H3,(H,18,21)(H,19,20,22) |
| Isómeros SMILES | CCOC(=O)NC(=O)C1=C(SC=C1)NC(=O)C2=NC3=CC=CC=C3S2 |
| CAS alternativo | 864941-32-2 |
| PubChem CID | 4557640 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Benzothiazoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzothiazoles |
| Alternative Parents | Thiophene carboxamides Thiazolecarboxamides 2-heteroaryl carboxamides Benzenoids Vinylogous amides Heteroaromatic compounds Carbamate esters Secondary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 1,3-benzothiazole - 2-heteroaryl carboxamide - Thiazolecarboxamide - Thiophene carboxylic acid or derivatives - Thiophene carboxamide - Thiazolecarboxylic acid or derivatives - Benzenoid - Azole - Heteroaromatic compound - Vinylogous amide - Carbamic acid ester - Thiophene - Thiazole - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom). |
| External Descriptors | Not available |
| Peso molecular | 375.400 g/mol |
|---|---|
| XLogP3 | 3.900 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 375.035 Da |
| Monoisotopic Mass | 375.035 Da |
| Topological Polar Surface Area | 154.000 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 534.000 |
| 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 |
![Ethyl ({2-[(1,3-Benzothiazol-2-Ylcarbonyl)amino]thiophen-3-Yl}carbonyl)carbamate - ≥98% CAS No(864941-32-2) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/E/1/E1062653.jpg)