| CAS Number | 70031-55-9 |
| Catalog Number | AG00FFUR(AGN-PC-0WQX5R) |
| Chemical Name | 2-(2-Methylphenyl)-4-phenylthiazole |
| IUPAC Name | 2-(2-methylphenyl)-4-phenyl-1,3-thiazole |
| InChI | InChI=1S/C16H13NS/c1-12-7-5-6-10-14(12)16-17-15(11-18-16)13-8-3-2-4-9-13/h2-11H,1H3 |
| InChI Key | SZGNEJOKDCWVJG-UHFFFAOYSA-N |
| MDL Number | MFCD12342126 |
| Molecular Formula | C16H13NS |
| Molecular Weight | 251.3461 |
| SMILES | S1C=C(C2C=CC=CC=2)N=C1C1C=CC=CC=1C |
| Synonyms | 2-(2-Methylphenyl)-4-phenylthiazole,
70031-55-9,
4-Phenyl-2-(o-tolyl)thiazole,
SCHEMBL11461511,
ZINC8225686,
MFCD12342126,
ZINC08225686,
CID9356570,
|
| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.347g/mol |
| Monoisotopic Mass | 251.077g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.6 |
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Certificate of Analysis
Lot Number