| CAS Number | 300768-05-2 |
| Catalog Number | AG00BUWT(AGN-PC-0R5FFR) |
| Chemical Name | 3-methoxy-1,2-thiazole-5-carbaldehyde |
| IUPAC Name | 3-methoxy-1,2-thiazole-5-carbaldehyde |
| InChI | InChI=1S/C5H5NO2S/c1-8-5-2-4(3-7)9-6-5/h2-3H,1H3 |
| InChI Key | BFOZCSISIDTCFT-UHFFFAOYSA-N |
| MDL Number | MFCD18821786 |
| Molecular Formula | C5H5NO2S |
| Molecular Weight | 143.1637 |
| SMILES | COC1=NSC(C=O)=C1 |
| Synonyms | 300768-05-2,
3-methoxy-1,2-thiazole-5-carbaldehyde,
5-Isothiazolecarboxaldehyde, 3-methoxy- (9CI),
ZINC39061259,
|
| Complexity | 109 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 143.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 143.16g/mol |
| Monoisotopic Mass | 143.004g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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