| CAS Number | 397329-61-2 |
| Catalog Number | AG01C3MW |
| Chemical Name | Methyl 4-Iodo-1,2-Thiazole-3-Carboxylate |
| IUPAC Name | methyl 4-iodo-1,2-thiazole-3-carboxylate |
| InChI | InChI=1S/C5H4INO2S/c1-9-5(8)4-3(6)2-10-7-4/h2H,1H3 |
| InChI Key | NDXAPAKRFXGRKU-UHFFFAOYSA-N |
| MDL Number | MFCD29060514 |
| Molecular Formula | C5H4INO2S |
| Molecular Weight | 269.0602 |
| SMILES | COC(=O)C1=NSC=C1I |
| Synonyms | 397329-61-2,
methyl 4-iodo-1,2-thiazole-3-carboxylate,
methyl 4-iodoisothiazole-3-carboxylate,
SCHEMBL6422368,
ZINC140797746,
|
| Complexity | 144 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.901g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.056g/mol |
| Monoisotopic Mass | 268.901g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number