| CAS Number | 1965304-72-6 |
| Catalog Number | AG01F9MM(AGN-PC-3H49DK) |
| Chemical Name | Ethyl 2-(2-tolyl)-4-phenylthiazole-5-carboxylate |
| IUPAC Name | ethyl 2-(2-methylphenyl)-4-phenyl-1,3-thiazole-5-carboxylate |
| InChI | InChI=1S/C19H17NO2S/c1-3-22-19(21)17-16(14-10-5-4-6-11-14)20-18(23-17)15-12-8-7-9-13(15)2/h4-12H,3H2,1-2H3 |
| InChI Key | BOZVAZFMZMGDEW-UHFFFAOYSA-N |
| MDL Number | MFCD28166210 |
| Molecular Formula | C19H17NO2S |
| Molecular Weight | 323.4088 |
| SMILES | S1C(C(OCC)=O)=C(C2C=CC=CC=2)N=C1C1C=CC=CC=1C |
| Synonyms | Ethyl 2-(2-tolyl)-4-phenylthiazole-5-carboxylate,
1965304-72-6,
ZINC219038653,
Ethyl 2-(2-tolyl)thiazole-5-carboxylate, AldrichCPR,
|
| Complexity | 397 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 323.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 323.41g/mol |
| Monoisotopic Mass | 323.098g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 67.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.2 |
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Certificate of Analysis
Lot Number