| CAS Number | 113090-48-5 |
| Catalog Number | AG01FCIU(AGN-PC-3H49NF) |
| Chemical Name | 4,4'-Bis(2-methyl-4-thiazolyl)biphenyl |
| IUPAC Name | 2-methyl-4-[4-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]phenyl]-1,3-thiazole |
| InChI | InChI=1S/C20H16N2S2/c1-13-21-19(11-23-13)17-7-3-15(4-8-17)16-5-9-18(10-6-16)20-12-24-14(2)22-20/h3-12H,1-2H3 |
| InChI Key | KDRHDICTKGBJEC-UHFFFAOYSA-N |
| MDL Number | MFCD22682944 |
| Molecular Formula | C20H16N2S2 |
| Molecular Weight | 348.4844 |
| SMILES | Cc1scc(n1)c1ccc(cc1)c1ccc(cc1)c1csc(n1)C |
| Synonyms | 4,4'-Bis(2-methyl-4-thiazolyl)biphenyl,
113090-48-5,
MFCD22682944,
ZINC84846959,
|
| Complexity | 364 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 348.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 348.482g/mol |
| Monoisotopic Mass | 348.075g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 82.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number