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≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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 | CCCCCCCCCCCCC(CCCCCCCCCC)CN1C(=C2C(=C(N(C2=O)CC(CCCCCCCCCC)CCCCCCCCCCCC)C3=CC=C(S3)Br)C1=O)C4=CC=C(S4)Br |
|---|---|
| IUPAC Name | 1,4-bis(5-bromothiophen-2-yl)-2,5-bis(2-decyltetradecyl)pyrrolo[3,4-c]pyrrole-3,6-dione |
| InChIKey | FYIOMGMQCNUOFL-UHFFFAOYSA-N |
| INCHI | 1S/C62H102Br2N2O2S2/c1-5-9-13-17-21-25-27-31-35-39-43-51(41-37-33-29-23-19-15-11-7-3)49-65-59(53-45-47-55(63)69-53)57-58(61(65)67)60(54-46-48-56(64)70-54)66(62(57)68)50-52(42-38-34-30-24-20-16-12-8-4)44-40-36-32-28-26-22-18-14-10-6-2/h45-48,51-52H,5-44,49-50H2,1-4H3 |
| Isómeros SMILES | CCCCCCCCCCCCC(CCCCCCCCCC)CN1C(=C2C(=C(N(C2=O)CC(CCCCCCCCCC)CCCCCCCCCCCC)C3=CC=C(S3)Br)C1=O)C4=CC=C(S4)Br |
| Peso molecular | 1131.42 |
| Reaxy-Rn | 22138999 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22138999&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Thiophenes |
| Subclass | 2,5-disubstituted thiophenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 2,5-disubstituted thiophenes |
| Alternative Parents | Aryl bromides Vinylogous amides Tertiary carboxylic acid amides Pyrrolines Heteroaromatic compounds Tertiary amines Lactams Amino acids and derivatives Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 2,5-disubstituted thiophene - Aryl bromide - Aryl halide - Heteroaromatic compound - Vinylogous amide - Tertiary carboxylic acid amide - Pyrroline - Amino acid or derivatives - Carboxamide group - Lactam - Tertiary amine - Carboxylic acid derivative - Azacycle - Organobromide - Organohalogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as 2,5-disubstituted thiophenes. These are organic compounds containing a thiophene that is disubstituted at the C-2, and C5-positions. |
| External Descriptors | Not available |
| Sensibilidad | light sensitive |
|---|---|
| Peso molecular | 1131.400 g/mol |
| XLogP3 | 27.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 46 |
| Exact Mass | 1130.57 Da |
| Monoisotopic Mass | 1128.57 Da |
| Topological Polar Surface Area | 97.100 Ų |
| Heavy Atom Count | 70 |
| Formal Charge | 0 |
| Complexity | 1350.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |