| CAS Number | 1965304-85-1 |
| Catalog Number | AG01FB2W(AGN-PC-3H49HG) |
| Chemical Name | 5-Bromo-2-(4-methylphenyl)-4-phenylthiazole |
| IUPAC Name | 5-bromo-2-(4-methylphenyl)-4-phenyl-1,3-thiazole |
| InChI | InChI=1S/C16H12BrNS/c1-11-7-9-13(10-8-11)16-18-14(15(17)19-16)12-5-3-2-4-6-12/h2-10H,1H3 |
| InChI Key | KHLSLQBSBGUTIR-UHFFFAOYSA-N |
| MDL Number | MFCD27665336 |
| Molecular Formula | C16H12BrNS |
| Molecular Weight | 330.2422 |
| SMILES | Cc1ccc(cc1)c1sc(c(n1)c1ccccc1)Br |
| Synonyms | 5-Bromo-2-(4-methylphenyl)-4-phenylthiazole,
1965304-85-1,
ZINC98073107,
|
| Complexity | 285 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 328.987g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 330.243g/mol |
| Monoisotopic Mass | 328.987g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number