| CAS Number | 1965304-91-9 |
| Catalog Number | AG01EUGO(AGN-PC-3H47J0) |
| Chemical Name | 1,3-Bis[4-(2-pyridyl)-2-thiazolyl]benzene |
| IUPAC Name | 4-pyridin-2-yl-2-[3-(4-pyridin-2-yl-1,3-thiazol-2-yl)phenyl]-1,3-thiazole |
| InChI | InChI=1S/C22H14N4S2/c1-3-10-23-17(8-1)19-13-27-21(25-19)15-6-5-7-16(12-15)22-26-20(14-28-22)18-9-2-4-11-24-18/h1-14H |
| InChI Key | PCSRMCWWBQDSEY-UHFFFAOYSA-N |
| MDL Number | MFCD28166204 |
| Molecular Formula | C22H14N4S2 |
| Molecular Weight | 398.5034 |
| SMILES | C1(C2=NC(C3C=CC=CN=3)=CS2)C=CC=C(C2=NC(C3C=CC=CN=3)=CS2)C=1 |
| Synonyms | 1,3-Bis[4-(2-pyridyl)-2-thiazolyl]benzene,
1965304-91-9,
ZINC219038103,
|
| Complexity | 465 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 398.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 398.502g/mol |
| Monoisotopic Mass | 398.066g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 108A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number