| CAS Number | 133833-94-0 |
| Catalog Number | AG00A8DW(AGN-PC-0NKOGD) |
| Chemical Name | 4-Hydroxy-5-methylthiazole-2-carboxylic acid |
| IUPAC Name | 4-hydroxy-5-methyl-1,3-thiazole-2-carboxylic acid |
| InChI | InChI=1S/C5H5NO3S/c1-2-3(7)6-4(10-2)5(8)9/h7H,1H3,(H,8,9) |
| InChI Key | XWZZGBAAPWOSNW-UHFFFAOYSA-N |
| MDL Number | MFCD18817023 |
| Molecular Formula | C5H5NO3S |
| Molecular Weight | 159.1631 |
| SMILES | CC1=C(O)N=C(C(O)=O)S1 |
| Synonyms | 133833-94-0,
4-hydroxy-5-methyl-1,3-thiazole-2-carboxylic acid,
4-Hydroxy-5-methylthiazole-2-carboxylic acid,
CHEMBL71269,
CTK8G8363,
ZINC13822637,
2-carboxy-4-hydroxy-5-methylthiazole,
AKOS023414969,
2-thiazolecarboxylic acid,4-hydroxy-5-methyl-,
4-Hydroxy-5-methyl-thiazole-2-carboxylic acid,
2-Thiazolecarboxylic acid, 4-hydroxy-5-methyl-,
Z2724441147,
2-Thiazolecarboxylic acid, 4-hydroxy-5-methyl-,
|
| Complexity | 152 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 158.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 159.159g/mol |
| Monoisotopic Mass | 158.999g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 98.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number