≥90% 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.
| Sonrisas canónicas | CC1=C(SC(=N1)C2=CC=CC=C2)C3=NN=C(N3C)SCC#C |
|---|---|
| IUPAC Name | 4-methyl-5-(4-methyl-5-prop-2-ynylsulfanyl-1,2,4-triazol-3-yl)-2-phenyl-1,3-thiazole |
| InChIKey | IJOYYGFIORIFJG-UHFFFAOYSA-N |
| INCHI | 1S/C16H14N4S2/c1-4-10-21-16-19-18-14(20(16)3)13-11(2)17-15(22-13)12-8-6-5-7-9-12/h1,5-9H,10H2,2-3H3 |
| Isómeros SMILES | CC1=C(SC(=N1)C2=CC=CC=C2)C3=NN=C(N3C)SCC#C |
| PubChem CID | 4268460 |
| Peso molecular | 326.44 |
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 |
| Clase | Azoles |
| Subclass | Thiazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 2,4,5-trisubstituted thiazoles |
| Alternative Parents | Alkylarylthioethers Benzene and substituted derivatives Triazoles Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Acetylides Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2,4,5-trisubstituted 1,3-thiazole - Aryl thioether - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - 1,2,4-triazole - Acetylide - Thioether - Azacycle - Sulfenyl compound - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organopnictogen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as 2,4,5-trisubstituted thiazoles. These are compounds containing a thiazole ring substituted at positions 2, 4 and 5 only. |
| External Descriptors | Not available |
| Peso molecular | 326.400 g/mol |
|---|---|
| XLogP3 | 3.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 326.066 Da |
| Monoisotopic Mass | 326.066 Da |
| Topological Polar Surface Area | 97.100 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 418.000 |
| 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 |
