| CAS Number | 937598-06-6 |
| Catalog Number | AG01ABEI(AGN-PC-0WBB3X) |
| Chemical Name | 1-(2-Benzyl-4-methylthiazol-5-yl)ethanone |
| IUPAC Name | 1-(2-benzyl-4-methyl-1,3-thiazol-5-yl)ethanone |
| InChI | InChI=1S/C13H13NOS/c1-9-13(10(2)15)16-12(14-9)8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3 |
| InChI Key | OPDVFVZVSSJRPL-UHFFFAOYSA-N |
| MDL Number | MFCD08554746 |
| Molecular Formula | C13H13NOS |
| Molecular Weight | 231.3134 |
| SMILES | CC(C1=C(C)N=C(CC2=CC=CC=C2)S1)=O |
| Synonyms | 937598-06-6,
1-(2-benzyl-4-methyl-1,3-thiazol-5-yl)ethan-1-one,
1-(2-benzyl-4-methyl-1,3-thiazol-5-yl)ethanone,
1-(2-Benzyl-4-methylthiazol-5-yl)ethanone,
5-acetyl-4-methyl-2-benzyl-1,3-thiazole,
AC1Q1JCY,
CTK5J9912,
MFCD08554746,
SBB023756,
STK350812,
ZINC12394372,
AKOS000313448,
MCULE-6717834232,
NE18760,
ST45102825,
EN300-71394,
Z118608146,
|
| Complexity | 250 |
| 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 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number