| CAS Number | 1388570-58-8 |
| Catalog Number | AG01FAYP(AGN-PC-3H49H8) |
| Chemical Name | 5-Methyl-2-(3-nitrophenyl)-4-phenylthiazole |
| IUPAC Name | 5-methyl-2-(3-nitrophenyl)-4-phenyl-1,3-thiazole |
| InChI | InChI=1S/C16H12N2O2S/c1-11-15(12-6-3-2-4-7-12)17-16(21-11)13-8-5-9-14(10-13)18(19)20/h2-10H,1H3 |
| InChI Key | BXRAVDFIDAZYIH-UHFFFAOYSA-N |
| MDL Number | MFCD27978263 |
| Molecular Formula | C16H12N2O2S |
| Molecular Weight | 296.3437 |
| SMILES | S1C(C)=C(C2C=CC=CC=2)N=C1C1C=CC=C([N+]([O-])=O)C=1 |
| Synonyms | 5-Methyl-2-(3-nitrophenyl)-4-phenylthiazole,
1388570-58-8,
ZINC71971778,
AKOS008776785,
5-Methyl-2-(3-nitrophenyl)-4-phenylthiazole, AldrichCPR,
|
| Complexity | 368 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 296.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 296.344g/mol |
| Monoisotopic Mass | 296.062g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 87A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number