| CAS Number | 960235-22-7 |
| Catalog Number | AG01B7Y1 |
| Chemical Name | ethyl 5-formyl-1,3-thiazole-2-carboxylate |
| IUPAC Name | ethyl 5-formyl-1,3-thiazole-2-carboxylate |
| InChI | InChI=1S/C7H7NO3S/c1-2-11-7(10)6-8-3-5(4-9)12-6/h3-4H,2H2,1H3 |
| InChI Key | QIRLNDDTKZZZDT-UHFFFAOYSA-N |
| MDL Number | MFCD14155909 |
| Molecular Formula | C7H7NO3S |
| Molecular Weight | 185.2004 |
| SMILES | C(=O)C1=CN=C(S1)C(=O)OCC |
| Synonyms | 960235-22-7,
ETHYL 5-FORMYL-1,3-THIAZOLE-2-CARBOXYLATE,
ETHYL 5-FORMYLTHIAZOLE-2-CARBOXYLATE,
SCHEMBL14347621,
ZINC146133331,
SC-92879,
EN300-198852,
2-Thiazolecarboxylic acid, 5-formyl-, ethyl ester,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.197g/mol |
| Monoisotopic Mass | 185.015g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 84.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number