| CAS Number | 886368-73-6 |
| Catalog Number | AG01A7QH |
| Chemical Name | 2-(2,4-Dimethylphenyl)-1,3-thiazole-4-carboxylic acid |
| IUPAC Name | 2-(2,4-dimethylphenyl)-1,3-thiazole-4-carboxylic acid |
| InChI | InChI=1S/C12H11NO2S/c1-7-3-4-9(8(2)5-7)11-13-10(6-16-11)12(14)15/h3-6H,1-2H3,(H,14,15) |
| InChI Key | OFHFITQVFGQLKU-UHFFFAOYSA-N |
| MDL Number | MFCD07375285 |
| Molecular Formula | C12H11NO2S |
| Molecular Weight | 233.2862 |
| SMILES | CC1=CC(C)=C(C2SC=C(C(O)=O)N=2)C=C1 |
| Synonyms | 2-(2,4-dimethylphenyl)-1,3-thiazole-4-carboxylic acid,
886368-73-6,
AC1Q2HWU,
CTK6B6709,
ZINC34961470,
AKOS009311527,
AB41597,
MCULE-2753714917,
NE37976,
EN300-59541,
Z1259041065,
|
| Complexity | 272 |
| 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 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number