≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light,Argon charged Ships Wet ice 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 | CCCCCCC1=C(SC(=C1)C2=CC=C(C3=NSN=C23)C4=CC(=C(S4)Br)CCCCCC)Br |
|---|---|
| IUPAC Name | 4,7-bis(5-bromo-4-hexylthiophen-2-yl)-2,1,3-benzothiadiazole |
| InChIKey | NEMDYXXOEXNCJZ-UHFFFAOYSA-N |
| INCHI | 1S/C26H30Br2N2S3/c1-3-5-7-9-11-17-15-21(31-25(17)27)19-13-14-20(24-23(19)29-33-30-24)22-16-18(26(28)32-22)12-10-8-6-4-2/h13-16H,3-12H2,1-2H3 |
| Isómeros SMILES | CCCCCCC1=C(SC(=C1)C2=CC=C(C3=NSN=C23)C4=CC(=C(S4)Br)CCCCCC)Br |
| Peso molecular | 626.53 |
| Reaxy-Rn | 9884874 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9884874&ln= |
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 | Benzothiadiazoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzothiadiazoles |
| Alternative Parents | 2,3,5-trisubstituted thiophenes Benzenoids Aryl bromides Thiadiazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 2,1,3-benzothiadiazole - 2,3,5-trisubstituted thiophene - Aryl bromide - Aryl halide - Benzenoid - Azole - Heteroaromatic compound - Thiadiazole - Thiophene - Azacycle - Organobromide - Organohalogen compound - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzothiadiazoles. These are heterocyclic aromatic compounds containing a benzene ring fused to a thiadiazole ring. Thiadiazole is a five-membered aromatic heterocycle made up of one sulfur atom and two nitrogen atoms. |
| External Descriptors | Not available |
| Peso molecular | 626.500 g/mol |
|---|---|
| XLogP3 | 12.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 12 |
| Exact Mass | 625.992 Da |
| Monoisotopic Mass | 623.994 Da |
| Topological Polar Surface Area | 111.000 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 538.000 |
| 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 |
![4,7-Bis(5-bromo-4-hexylthiophen-2-yl)benzo[c][1,2,5]thiadiazole - ≥98% , CAS No.444579-39-9](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)
K2313499