| CAS Number | 1343456-16-5 |
| Catalog Number | AG01DI0D(AGN-PC-0CRD3M) |
| Chemical Name | 1-(2-(tert-Butyl)thiazol-4-yl)ethanone |
| IUPAC Name | 1-(2-tert-butyl-1,3-thiazol-4-yl)ethanone |
| InChI | InChI=1S/C9H13NOS/c1-6(11)7-5-12-8(10-7)9(2,3)4/h5H,1-4H3 |
| InChI Key | AFBLIINTGRGOBD-UHFFFAOYSA-N |
| MDL Number | MFCD20348883 |
| Molecular Formula | C9H13NOS |
| Molecular Weight | 183.2706 |
| SMILES | CC(C1N=C(C(C)(C)C)SC=1)=O |
| Synonyms | 1-(2-(tert-Butyl)thiazol-4-yl)ethanone,
1343456-16-5,
SCHEMBL13394729,
MFCD20348883,
ZINC70848302,
AKOS013868868,
1-(2-(t-Butyl)thiazol-4-yl)ethanone,
1-(2-tert-butyl-1,3-thiazol-4-yl)ethanone,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.269g/mol |
| Monoisotopic Mass | 183.072g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 58.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number