| CAS Number | 867330-01-6 |
| Catalog Number | AG00IE72(AGN-PC-0WR4IP) |
| Chemical Name | 1-[2-(4-hydroxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethan-1-one |
| IUPAC Name | 1-[2-(4-hydroxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone |
| InChI | InChI=1S/C12H11NO2S/c1-7-11(8(2)14)16-12(13-7)9-3-5-10(15)6-4-9/h3-6,15H,1-2H3 |
| InChI Key | CVFSPXYVIUTMQL-UHFFFAOYSA-N |
| MDL Number | MFCD07339544 |
| Molecular Formula | C12H11NO2S |
| Molecular Weight | 233.2862 |
| SMILES | CC(C1=C(C)N=C(C2=CC=C(O)C=C2)S1)=O |
| Synonyms | 867330-01-6,
1-[2-(4-hydroxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone,
1-[2-(4-hydroxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethan-1-one,
AC1OFJVU,
AC1Q1JDK,
CTK7J9229,
CTK8F3061,
ZINC4218285,
MFCD07339544,
AKOS009020818,
MCULE-7289866260,
NE60153,
EN300-14401,
Z118594982,
4-(5-acetyl-4-methyl-3H-1,3-thiazol-2-ylidene)cyclohexa-2,5-dien-1-one,
ZINC04218285,
CID7130758,
|
| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.285g/mol |
| Monoisotopic Mass | 233.051g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number