| CAS Number | 1340453-00-0 |
| Catalog Number | AG01BDQV |
| Chemical Name | 2-benzoyl-4-(propan-2-yl)-1,3-thiazole |
| IUPAC Name | phenyl-(4-propan-2-yl-1,3-thiazol-2-yl)methanone |
| InChI | InChI=1S/C13H13NOS/c1-9(2)11-8-16-13(14-11)12(15)10-6-4-3-5-7-10/h3-9H,1-2H3 |
| InChI Key | GPROSCCXGAYLQK-UHFFFAOYSA-N |
| MDL Number | MFCD18335121 |
| Molecular Formula | C13H13NOS |
| Molecular Weight | 231.3134 |
| SMILES | CC(C1N=C(C(C2=CC=CC=C2)=O)SC=1)C |
| Synonyms | 2-benzoyl-4-(propan-2-yl)-1,3-thiazole,
1340453-00-0,
ZINC70996470,
AKOS012651059,
NE42329,
|
| Complexity | 248 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.313g/mol |
| Monoisotopic Mass | 231.072g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 58.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number