| CAS Number | 1909318-82-6 |
| Catalog Number | AG01C30E |
| Chemical Name | 4-iodo-1,2-thiazole-3-carboxylic acid |
| IUPAC Name | 4-iodo-1,2-thiazole-3-carboxylic acid |
| InChI | InChI=1S/C4H2INO2S/c5-2-1-9-6-3(2)4(7)8/h1H,(H,7,8) |
| InChI Key | JTLAVUZUYQYSAR-UHFFFAOYSA-N |
| MDL Number | MFCD29060326 |
| Molecular Formula | C4H2INO2S |
| Molecular Weight | 255.0337 |
| SMILES | OC(C1C(I)=CSN=1)=O |
| Synonyms | 4-iodo-1,2-thiazole-3-carboxylic acid,
1909318-82-6,
ZINC200766964,
|
| Complexity | 132 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.885g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.029g/mol |
| Monoisotopic Mass | 254.885g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number