| CAS Number | 847781-95-7 |
| Catalog Number | AG00IDFJ(AGN-PC-0WR4HO) |
| Chemical Name | 4-(4-tert-butyl-1,3-thiazol-2-yl)phenol |
| IUPAC Name | 4-(4-tert-butyl-1,3-thiazol-2-yl)phenol |
| InChI | InChI=1S/C13H15NOS/c1-13(2,3)11-8-16-12(14-11)9-4-6-10(15)7-5-9/h4-8,15H,1-3H3 |
| InChI Key | NNLXLHVUALWSQX-UHFFFAOYSA-N |
| MDL Number | MFCD07330479 |
| Molecular Formula | C13H15NOS |
| Molecular Weight | 233.3293 |
| SMILES | CC(C1N=C(C2=CC=C(O)C=C2)SC=1)(C)C |
| Synonyms | 4-(4-tert-butyl-1,3-thiazol-2-yl)phenol,
847781-95-7,
CTK7J9266,
HMS1736C10,
ZINC4207218,
AKOS006029503,
MCULE-9952071434,
NE20846,
NCGC00323224-01,
EN300-14000,
AB01319081-02,
Z96092805,
AC1O1EVK,
AC1Q1MBU,
ZINC04207218,
CID6095102,
4-(4-tert-butyl-3H-1,3-thiazol-2-ylidene)cyclohexa-2,5-dien-1-one,
|
| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.087435g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.33g/mol |
| Monoisotopic Mass | 233.087435g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 61.4Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number