| Sonrisas canónicas | CC1=NC=C(S1)I |
|---|---|
| IUPAC Name | 5-iodo-2-methyl-1,3-thiazole |
| InChIKey | WSPHZZQQZDQEPV-UHFFFAOYSA-N |
| INCHI | 1S/C4H4INS/c1-3-6-2-4(5)7-3/h2H,1H3 |
| Isómeros SMILES | CC1=NC=C(S1)I |
| CAS alternativo | 1412902-50-1 |
| PubChem CID | 14601971 |
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 |
| Clase | Azoles |
| Subclass | Thiazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 2,5-disubstituted thiazoles |
| Alternative Parents | Aryl iodides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2,5-disubstituted 1,3-thiazole - Aryl iodide - Aryl halide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organoiodide - Organohalogen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as 2,5-disubstituted thiazoles. These are compounds containing a thiazole ring substituted at positions 2 and 5 only. |
| External Descriptors | Not available |
| Peso molecular | 225.050 g/mol |
|---|---|
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 224.911 Da |
| Monoisotopic Mass | 224.911 Da |
| Topological Polar Surface Area | 41.100 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 68.700 |
| 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 |
