| CAS Number | 81569-32-6 |
| Catalog Number | AG019T64(AGN-PC-0WO41D) |
| Chemical Name | 4-Tert-Butyl-1,3-Thiazole-5-Carboxylic Acid |
| IUPAC Name | 4-tert-butyl-1,3-thiazole-5-carboxylic acid |
| InChI | InChI=1S/C8H11NO2S/c1-8(2,3)6-5(7(10)11)12-4-9-6/h4H,1-3H3,(H,10,11) |
| InChI Key | LSFWCHUMJQJHSR-UHFFFAOYSA-N |
| MDL Number | MFCD19282035 |
| Molecular Formula | C8H11NO2S |
| Molecular Weight | 185.2434 |
| SMILES | OC(=O)c1scnc1C(C)(C)C |
| Synonyms | 4-tert-butyl-1,3-thiazole-5-carboxylic acid,
81569-32-6,
4-(tert-Butyl)thiazole-5-carboxylic acid,
SCHEMBL9643923,
ZINC39370252,
AKOS022463941,
NE28040,
Z1322129889,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.241g/mol |
| Monoisotopic Mass | 185.051g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number