| CAS Number | 1500577-50-3 |
| Catalog Number | AG01FCFS(AGN-PC-3H49LN) |
| Chemical Name | 4-(2-(p-Tolyl)thiazol-4-yl)phenol |
| IUPAC Name | 4-[2-(4-methylphenyl)-1,3-thiazol-4-yl]phenol |
| InChI | InChI=1S/C16H13NOS/c1-11-2-4-13(5-3-11)16-17-15(10-19-16)12-6-8-14(18)9-7-12/h2-10,18H,1H3 |
| InChI Key | JUUJSVPUGCNEKZ-UHFFFAOYSA-N |
| MDL Number | MFCD27919676 |
| Molecular Formula | C16H13NOS |
| Molecular Weight | 267.3455 |
| SMILES | Cc1ccc(cc1)c1scc(n1)c1ccc(cc1)O |
| Synonyms | 2-(4-Tolyl)-4-(4-hydroxyphenyl)thiazole,
1500577-50-3,
4-(2-(p-Tolyl)thiazol-4-yl)phenol,
ZINC14102964,
AKOS023532431,
2-(4-Tolyl)-4-(4-hydroxyphenyl)thiazole, AldrichCPR,
|
| Complexity | 283 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.346g/mol |
| Monoisotopic Mass | 267.072g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 61.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
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