| CAS Number | 1247900-44-2 |
| Catalog Number | AG019YL8(AGN-PC-0WO4R3) |
| Chemical Name | 1-[4-Methyl-2-(propan-2-yl)-1,3-thiazol-5-yl]ethan-1-one |
| IUPAC Name | 1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanone |
| InChI | InChI=1S/C9H13NOS/c1-5(2)9-10-6(3)8(12-9)7(4)11/h5H,1-4H3 |
| InChI Key | ZOEMIHCXMCFTRK-UHFFFAOYSA-N |
| MDL Number | MFCD14588465 |
| Molecular Formula | C9H13NOS |
| Molecular Weight | 183.2706 |
| SMILES | CC(C1SC(C(C)=O)=C(C)N=1)C |
| Synonyms | 1-[4-methyl-2-(propan-2-yl)-1,3-thiazol-5-yl]ethan-1-one,
1247900-44-2,
SCHEMBL10252488,
ZINC40445660,
AKOS010289349,
MCULE-6200318119,
NE20634,
Z735545244,
|
| Complexity | 181 |
| 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 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number