≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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.
| Pubchem Sid | 488202607 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488202607 |
| Canonical Smiles | CCCCCCCCC1=C(SC(=C1)C2=CC=C(C3=NSN=C23)C4=CC(=C(S4)Br)CCCCCCCC)Br |
| IUPAC Name | 4,7-bis(5-bromo-4-octylthiophen-2-yl)-2,1,3-benzothiadiazole |
| InChIKey | AMYLTENEOQNKGO-UHFFFAOYSA-N |
| INCHI | 1S/C30H38Br2N2S3/c1-3-5-7-9-11-13-15-21-19-25(35-29(21)31)23-17-18-24(28-27(23)33-37-34-28)26-20-22(30(32)36-26)16-14-12-10-8-6-4-2/h17-20H,3-16H2,1-2H3 |
| Isomeric SMILES | CCCCCCCCC1=C(SC(=C1)C2=CC=C(C3=NSN=C23)C4=CC(=C(S4)Br)CCCCCCCC)Br |
| Molecular Weight | 682.64 |
| Reaxy-Rn | 19418331 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19418331&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 |
| Class | 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 |
| 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 C2331059 | Certificate of Analysis | Nov 23, 2022 | B152468 |
| C2331060 | Certificate of Analysis | Nov 23, 2022 | B152468 |
| C2331061 | Certificate of Analysis | Nov 23, 2022 | B152468 |
| C2331062 | Certificate of Analysis | Nov 23, 2022 | B152468 |
| C2331092 | Certificate of Analysis | Nov 23, 2022 | B152468 |
| C2331093 | Certificate of Analysis | Nov 23, 2022 | B152468 |
| Molecular Weight | 682.600 g/mol |
|---|---|
| XLogP3 | 14.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 16 |
| Exact Mass | 682.054 Da |
| Monoisotopic Mass | 680.056 Da |
| Topological Polar Surface Area | 111.000 Ų |
| Heavy Atom Count | 37 |
| Formal Charge | 0 |
| Complexity | 592.000 |
| 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 |
