It also referred as m-iodophenyl isothiocyanate, is an isothiocyanate derivative.
It may be used for the synthesis of radiopharmaceutical compounds.
| Sonrisas canónicas | C1=CC(=CC(=C1)I)N=C=S |
|---|---|
| IUPAC Name | 1-iodo-3-isothiocyanatobenzene |
| InChIKey | LKCSXVAACHUTGC-UHFFFAOYSA-N |
| INCHI | 1S/C7H4INS/c8-6-2-1-3-7(4-6)9-5-10/h1-4H |
| Isómeros SMILES | C1=CC(=CC(=C1)I)N=C=S |
| WGK Alemania | 3 |
| Peso molecular | 261.09 |
| Beilstein | 2802538 |
| Reaxy-Rn | 2802538 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2802538&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 | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Halobenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Iodobenzenes |
| Alternative Parents | Aryl iodides Isothiocyanates Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Iodobenzene - Aryl iodide - Aryl halide - Isothiocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organoiodide - Organohalogen compound - Aromatic homomonocyclic compound |
| Descripción | 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
 G2229110 | Certificate of Analysis | May 13, 2026 | I140580 |
| G2229111 | Certificate of Analysis | May 13, 2026 | I140580 |
| G2229170 | Certificate of Analysis | May 13, 2026 | I140580 |
| J2116343 | Certificate of Analysis | Jul 21, 2025 | I140580 |
| J2116342 | Certificate of Analysis | Jul 21, 2025 | I140580 |
| D1720015 | Certificate of Analysis | Dec 11, 2024 | I140580 |
| Sensibilidad | Moisture & Light Sensitive |
|---|---|
| Punto de fusión (°C) | 44-47℃ |
| Peso molecular | 261.079 g/mol |
| XLogP3 | 4.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 260.911 Da |
| Monoisotopic Mass | 260.911 Da |
| Topological Polar Surface Area | 44.500 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 154.000 |
| 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 |
