| CAS Number | 2227-70-5 |
| Catalog Number | AG00BGS8 |
| Chemical Name | 4-Phenyl-2-(m-tolyl)thiazole |
| IUPAC Name | 2-(3-methylphenyl)-4-phenyl-1,3-thiazole |
| InChI | InChI=1S/C16H13NS/c1-12-6-5-9-14(10-12)16-17-15(11-18-16)13-7-3-2-4-8-13/h2-11H,1H3 |
| InChI Key | QTYZJFDPFQNIML-UHFFFAOYSA-N |
| MDL Number | MFCD16251549 |
| Molecular Formula | C16H13NS |
| Molecular Weight | 251.3461 |
| SMILES | S1C=C(C2C=CC=CC=2)N=C1C1C=CC=C(C)C=1 |
| Synonyms | 4-phenyl-2-(m-tolyl)thiazole,
2227-70-5,
2-(3-Methylphenyl)-4-phenylthiazole,
SCHEMBL11452662,
MFCD16251549,
ZINC60055967,
AKOS025402891,
4-Phenyl-2-(m-tolyl)thiazole, AldrichCPR,
|
| 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