≥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.
| Canonical Smiles | C1OC2=CC(=C(C=C2O1)I)SC3=NC4=NC=NC(=C4N3)N |
|---|---|
| IUPAC Name | 8-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]-7H-purin-6-amine |
| InChIKey | BFOWGJNWQLLISB-UHFFFAOYSA-N |
| INCHI | 1S/C12H8IN5O2S/c13-5-1-6-7(20-4-19-6)2-8(5)21-12-17-9-10(14)15-3-16-11(9)18-12/h1-3H,4H2,(H3,14,15,16,17,18) |
| Isomeric SMILES | C1OC2=CC(=C(C=C2O1)I)SC3=NC4=NC=NC(=C4N3)N |
| PubChem CID | 11632988 |
| Molecular Weight | 413.19 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organosulfur compounds |
| Class | Thioethers |
| Subclass | Aryl thioethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diarylthioethers |
| Alternative Parents | Imidazopyrimidines Benzodioxoles Thiophenol ethers Pyrimidines and pyrimidine derivatives Imidolactams Imidazoles Heteroaromatic compounds 1,3-dioxolanes Vinyl iodides Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Iodoalkenes Carboximidamides Azacyclic compounds Amidines Acetals Primary amines Organopnictogen compounds Organoiodides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Diarylthioether - Imidazopyrimidine - Benzodioxole - Thiophenol ether - Imidolactam - Benzenoid - Pyrimidine - Heteroaromatic compound - Imidazole - Azole - Meta-dioxolane - Oxacycle - Azacycle - Iodoalkene - Haloalkene - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Carboximidamide - Vinyl iodide - Vinyl halide - Amidine - Acetal - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organoiodide - Organohalogen compound - Amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as diarylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two aryl groups. |
| External Descriptors | Not available |
| Molecular Weight | 413.200 g/mol |
|---|---|
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Exact Mass | 412.944 Da |
| Monoisotopic Mass | 412.944 Da |
| Topological Polar Surface Area | 124.000 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 395.000 |
| 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 |
![8-((6-iodobenzo[d][1,3]dioxol-5-yl)thio)-9H-purin-6-amine - ≥97% , CAS No.873436-89-6](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)