| CAS Number | 21486-26-0 |
| Catalog Number | AG01BAI4 |
| Chemical Name | Dimethyl-1,2-thiazole-4-carboxylic acid |
| IUPAC Name | 3,5-dimethyl-1,2-thiazole-4-carboxylic acid |
| InChI | InChI=1S/C6H7NO2S/c1-3-5(6(8)9)4(2)10-7-3/h1-2H3,(H,8,9) |
| InChI Key | QFUYZERHMQJGCA-UHFFFAOYSA-N |
| MDL Number | MFCD19981453 |
| Molecular Formula | C6H7NO2S |
| Molecular Weight | 157.1903 |
| SMILES | CC1C(C(O)=O)=C(C)SN=1 |
| Synonyms | dimethyl-1,2-thiazole-4-carboxylic acid,
21486-26-0,
3,5-Dimethyl-4-isothiazolecarboxylic acid,
SCHEMBL8306201,
QFUYZERHMQJGCA-UHFFFAOYSA-N,
MFCD19981453,
ZINC82406050,
AKOS022715416,
3,5-Dimethylisothiazole-4-carboxylic acid,
3,5-Dimethyl-isothiazole-4-carboxylic acid,
Z2182115458,
|
| Complexity | 151 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 157.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 157.187g/mol |
| Monoisotopic Mass | 157.02g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number