| CAS Number | 83553-47-3 |
| Catalog Number | AG00G9CU(AGN-PC-0HYIXB) |
| Chemical Name | Ethyl 2-iodothiazole-4-carboxylate |
| IUPAC Name | ethyl 2-iodo-1,3-thiazole-4-carboxylate |
| InChI | InChI=1S/C6H6INO2S/c1-2-10-5(9)4-3-11-6(7)8-4/h3H,2H2,1H3 |
| InChI Key | WUPNJFZQDANBRY-UHFFFAOYSA-N |
| MDL Number | MFCD18416655 |
| Molecular Formula | C6H6INO2S |
| Molecular Weight | 283.0868 |
| SMILES | IC=1SC=C(N1)C(=O)OCC |
| Synonyms | 83553-47-3,
Ethyl 2-iodothiazole-4-carboxylate,
2-iodo-thiazole-4-carboxylic acid ethyl ester,
ethyl 2-iodo-1,3-thiazole-4-carboxylate,
SCHEMBL3001536,
4-ethoxycarbonyl-2-iodothiazole,
WUPNJFZQDANBRY-UHFFFAOYSA-N,
ZINC88190207,
AKOS025149387,
4-Thiazolecarboxylic acid, 2-iodo-, ethyl ester,
|
| Complexity | 156 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.916g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.083g/mol |
| Monoisotopic Mass | 282.916g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 67.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number