≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Desiccated 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.
| Canonical Smiles | C1=CC(=CC=C1CCN=C(N)SCCCC2=CN=CN2)I.Br.Br |
|---|---|
| IUPAC Name | 3-(1H-imidazol-5-yl)propyl N'-[2-(4-iodophenyl)ethyl]carbamimidothioate;dihydrobromide |
| InChIKey | BOSOGNBLIWPCMS-UHFFFAOYSA-N |
| INCHI | 1S/C15H19IN4S.2BrH/c16-13-5-3-12(4-6-13)7-8-19-15(17)21-9-1-2-14-10-18-11-20-14;;/h3-6,10-11H,1-2,7-9H2,(H2,17,19)(H,18,20);2*1H |
| Isomeric SMILES | C1=CC(=CC=C1CCN=C(N)SCCCC2=CN=CN2)I.Br.Br |
| PubChem CID | 24978528 |
| Molecular Weight | 576.13 |
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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Halobenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Iodobenzenes |
| Alternative Parents | Aryl iodides Imidazoles Heteroaromatic compounds Isothioureas Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Carboximidamides Azacyclic compounds Organopnictogen compounds Organoiodides Hydrocarbon derivatives Hydrobromides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Iodobenzene - Aryl halide - Aryl iodide - Azole - Heteroaromatic compound - Imidazole - Isothiourea - Azacycle - Organoheterocyclic compound - Carboximidamide - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoiodide - Organohalogen compound - Organic nitrogen compound - Organonitrogen compound - Organosulfur compound - Organopnictogen compound - Hydrocarbon derivative - Hydrobromide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as iodobenzenes. These are aromatic compounds containing one or more iodine atoms attached to a benzene. |
| External Descriptors | Not available |
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| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Solubility | Solvent:water, Max Conc. mg/mL: 14.4, Max Conc. mM: 25 |
|---|---|
| Molecular Weight | 576.100 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 8 |
| Exact Mass | 575.888 Da |
| Monoisotopic Mass | 573.89 Da |
| Topological Polar Surface Area | 92.400 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 319.000 |
| 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 | 3 |
