| CAS Number | 1965304-94-2 |
| Catalog Number | AG01F7TD(AGN-PC-3H4982) |
| Chemical Name | 2-(4-n-Butylbiphenyl-4'-yl)-4-(2-hydroxyphenyl)thiazole |
| IUPAC Name | 2-[2-[4-(4-butylphenyl)phenyl]-1,3-thiazol-4-yl]phenol |
| InChI | InChI=1S/C25H23NOS/c1-2-3-6-18-9-11-19(12-10-18)20-13-15-21(16-14-20)25-26-23(17-28-25)22-7-4-5-8-24(22)27/h4-5,7-17,27H,2-3,6H2,1H3 |
| InChI Key | MUEMCIAKEVGOCG-UHFFFAOYSA-N |
| MDL Number | MFCD28166224 |
| Molecular Formula | C25H23NOS |
| Molecular Weight | 385.5212 |
| SMILES | C1=C(O)C(C2=CSC(C3=CC=C(C4=CC=C(CCCC)C=C4)C=C3)=N2)=CC=C1 |
| Synonyms | 2-(4-n-Butylbiphenyl-4'-yl)-4-(2-hydroxyphenyl)thiazole,
1965304-94-2,
ZINC219039778,
2-(4-n-Butylbiphenyl-4'-yl)-4-(2-hydroxyphenyl)thiazole, AldrichCPR,
|
| Complexity | 456 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 385.15g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 385.525g/mol |
| Monoisotopic Mass | 385.15g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 61.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 7.4 |
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Certificate of Analysis
Lot Number