≥97% 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 | CCCCCCC1=C(SC(=C1)C2=C(C(=C(C3=NSN=C23)C4=CC(=C(S4)Br)CCCCCC)F)F)Br |
|---|---|
| IUPAC Name | 4,7-bis(5-bromo-4-hexylthiophen-2-yl)-5,6-difluoro-2,1,3-benzothiadiazole |
| InChIKey | XJWNRSCLIAJISP-UHFFFAOYSA-N |
| INCHI | 1S/C26H28Br2F2N2S3/c1-3-5-7-9-11-15-13-17(33-25(15)27)19-21(29)22(30)20(24-23(19)31-35-32-24)18-14-16(26(28)34-18)12-10-8-6-4-2/h13-14H,3-12H2,1-2H3 |
| Isomeric SMILES | CCCCCCC1=C(SC(=C1)C2=C(C(=C(C3=NSN=C23)C4=CC(=C(S4)Br)CCCCCC)F)F)Br |
| PubChem CID | 89760892 |
| Molecular Weight | 662.51 |
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 |
| Class | Benzothiadiazoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzothiadiazoles |
| Alternative Parents | 2,3,5-trisubstituted thiophenes Benzenoids Aryl fluorides Aryl bromides Thiadiazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 2,1,3-benzothiadiazole - 2,3,5-trisubstituted thiophene - Aryl bromide - Aryl fluoride - Aryl halide - Benzenoid - Heteroaromatic compound - Azole - Thiadiazole - Thiophene - Azacycle - Organobromide - Organohalogen compound - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | 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 |
| Molecular Weight | 662.500 g/mol |
|---|---|
| XLogP3 | 12.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 12 |
| Exact Mass | 661.973 Da |
| Monoisotopic Mass | 659.975 Da |
| Topological Polar Surface Area | 111.000 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 602.000 |
| 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)-5,6-difluorobenzo[c][1,2,5]thiadiazole - ≥97% CAS No(1450590-76-7) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/B/9/B932580.jpg)