| CAS Number | 1803570-76-4 |
| Catalog Number | AG01BE3K(AGN-PC-0WOR5F) |
| Chemical Name | 5-tert-butyl-1,3-thiazole-2-carbaldehyde |
| IUPAC Name | 5-tert-butyl-1,3-thiazole-2-carbaldehyde |
| InChI | InChI=1S/C8H11NOS/c1-8(2,3)6-4-9-7(5-10)11-6/h4-5H,1-3H3 |
| InChI Key | VAOKRXJCKZRLJN-UHFFFAOYSA-N |
| MDL Number | MFCD28125007 |
| Molecular Formula | C8H11NOS |
| Molecular Weight | 169.2440 |
| SMILES | CC(C1SC(C=O)=NC=1)(C)C |
| Synonyms | 5-tert-butyl-1,3-thiazole-2-carbaldehyde,
1803570-76-4,
ZINC98209715,
AKOS026741526,
|
| Complexity | 153 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.242g/mol |
| Monoisotopic Mass | 169.056g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 58.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number