| CAS Number | 1250012-15-7 |
| Catalog Number | AG01A0K9(AGN-PC-0WO6ED) |
| Chemical Name | 2-(5-Methylfuran-2-yl)-1,3-thiazole-5-carbaldehyde |
| IUPAC Name | 2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbaldehyde |
| InChI | InChI=1S/C9H7NO2S/c1-6-2-3-8(12-6)9-10-4-7(5-11)13-9/h2-5H,1H3 |
| InChI Key | NUCZJWCEJJECPL-UHFFFAOYSA-N |
| MDL Number | MFCD14615235 |
| Molecular Formula | C9H7NO2S |
| Molecular Weight | 193.2224 |
| SMILES | CC1OC(C2SC(C=O)=CN=2)=CC=1 |
| Synonyms | 2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbaldehyde,
1250012-15-7,
ZINC40996492,
AKOS010534249,
NE43919,
|
| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.22g/mol |
| Monoisotopic Mass | 193.02g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 71.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number