| CAS Number | 90198-37-1 |
| Catalog Number | AG01EK32 |
| Chemical Name | Ethyl 1,3-thiazole-5-carboxylate hydrochloride |
| IUPAC Name | ethyl 1,3-thiazole-5-carboxylate;hydrochloride |
| InChI | InChI=1S/C6H7NO2S.ClH/c1-2-9-6(8)5-3-7-4-10-5;/h3-4H,2H2,1H3;1H |
| InChI Key | KJKXOSGOZZKRLU-UHFFFAOYSA-N |
| MDL Number | MFCD31718752 |
| Molecular Formula | C6H8ClNO2S |
| Molecular Weight | 193.6512 |
| SMILES | Cl.CCOC(C1SC=NC=1)=O |
| Synonyms | ethyl 1,3-thiazole-5-carboxylate hydrochloride,
90198-37-1,
|
| Complexity | 129 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.645g/mol |
| Monoisotopic Mass | 192.996g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 67.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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