| CAS Number | 1192825-45-8 |
| Catalog Number | AG01EQY3(AGN-PC-3H47C4) |
| Chemical Name | 1,3-Bis[4-(4-bromophenyl)-2-thiazolyl]benzene |
| IUPAC Name | 4-(4-bromophenyl)-2-[3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]phenyl]-1,3-thiazole |
| InChI | InChI=1S/C24H14Br2N2S2/c25-19-8-4-15(5-9-19)21-13-29-23(27-21)17-2-1-3-18(12-17)24-28-22(14-30-24)16-6-10-20(26)11-7-16/h1-14H |
| InChI Key | LQQCZLVNNCFDBK-UHFFFAOYSA-N |
| MDL Number | MFCD22682996 |
| Molecular Formula | C24H14Br2N2S2 |
| Molecular Weight | 554.3194 |
| SMILES | C1(C2=NC(C3C=CC(Br)=CC=3)=CS2)C=CC=C(C2=NC(C3C=CC(Br)=CC=3)=CS2)C=1 |
| Synonyms | 1,3-Bis[4-(4-bromophenyl)-2-thiazolyl]benzene,
1192825-45-8,
ZINC100004657,
|
| Complexity | 505 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 553.89447g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 554.3g/mol |
| Monoisotopic Mass | 551.89652g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 82.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number