| CAS Number | 1803586-31-3 |
| Catalog Number | AG01B1N9(AGN-PC-0WOWKB) |
| Chemical Name | Dimethyl-1,3-thiazole-4-carboxylic acid hydrochloride |
| IUPAC Name | 2,5-dimethyl-1,3-thiazole-4-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C6H7NO2S.ClH/c1-3-5(6(8)9)7-4(2)10-3;/h1-2H3,(H,8,9);1H |
| InChI Key | ASFFKQYQZGIQBX-UHFFFAOYSA-N |
| MDL Number | MFCD27980947 |
| Molecular Formula | C6H8ClNO2S |
| Molecular Weight | 193.6512 |
| SMILES | Cl.CC1SC(C)=C(C(O)=O)N=1 |
| Synonyms | dimethyl-1,3-thiazole-4-carboxylic acid hydrochloride,
1803586-31-3,
AKOS026745244,
|
| Complexity | 151 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.996g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.645g/mol |
| Monoisotopic Mass | 192.996g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number