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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.
| Canonical Smiles | CC1=NC(=CS1)CBr.Br |
|---|---|
| IUPAC Name | 4-(bromomethyl)-2-methyl-1,3-thiazole;hydrobromide |
| InChIKey | FPFUXVSRVGLNPU-UHFFFAOYSA-N |
| INCHI | 1S/C5H6BrNS.BrH/c1-4-7-5(2-6)3-8-4;/h3H,2H2,1H3;1H |
| Isomeric SMILES | CC1=NC(=CS1)CBr.Br |
| PubChem CID | 92043029 |
| Molecular Weight | 272.99 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Thiazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 2,4-disubstituted thiazoles |
| Alternative Parents | Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives Hydrobromides Alkyl bromides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2,4-disubstituted 1,3-thiazole - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Hydrobromide - Organonitrogen compound - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 2,4-disubstituted thiazoles. These are compounds containing a thiazole ring substituted at the positions 2 and 3. |
| External Descriptors | Not available |
| Molecular Weight | 272.990 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 272.865 Da |
| Monoisotopic Mass | 270.867 Da |
| Topological Polar Surface Area | 41.100 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 78.800 |
| 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 | 2 |