≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | CCOC(=O)NC(=S)NC1=NC(=C(C=C1)Br)C |
|---|---|
| IUPAC Name | ethyl N-[(5-bromo-6-methylpyridin-2-yl)carbamothioyl]carbamate |
| InChIKey | FEWIOOYDNPJMRQ-UHFFFAOYSA-N |
| INCHI | 1S/C10H12BrN3O2S/c1-3-16-10(15)14-9(17)13-8-5-4-7(11)6(2)12-8/h4-5H,3H2,1-2H3,(H2,12,13,14,15,17) |
| Molecular Weight | 318.190 |
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 | Organoheterocyclic compounds |
| Class | Pyridines and derivatives |
| Subclass | Methylpyridines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Methylpyridines |
| Alternative Parents | Imidolactams Aryl bromides Heteroaromatic compounds Carbamate esters Thioureas Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Methylpyridine - Aryl bromide - Aryl halide - Imidolactam - Carbamic acid ester - Heteroaromatic compound - Thiourea - Azacycle - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as methylpyridines. These are organic compounds containing a pyridine ring substituted at one or more positions by a methyl group. |
| External Descriptors | Not available |
| Molecular Weight | 318.190 g/mol |
|---|---|
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 316.983 Da |
| Monoisotopic Mass | 316.983 Da |
| Topological Polar Surface Area | 95.300 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 291.000 |
| 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 |
