| CAS Number | 944275-17-6 |
| Catalog Number | AG00II5H |
| Chemical Name | 2-Iodo-4-thiazolecarboxylic acid |
| IUPAC Name | 2-iodo-1,3-thiazole-4-carboxylic acid |
| InChI | InChI=1S/C4H2INO2S/c5-4-6-2(1-9-4)3(7)8/h1H,(H,7,8) |
| InChI Key | DJKDNYWFYDHZDD-UHFFFAOYSA-N |
| MDL Number | MFCD09991913 |
| Molecular Formula | C4H2INO2S |
| Molecular Weight | 255.0336 |
| SMILES | OC(C1N=C(I)SC=1)=O |
| Synonyms | 944275-17-6,
2-iodothiazole-4-carboxylic acid,
2-Iodo-4-thiazolecarboxylic acid,
2-iodo-1,3-thiazole-4-carboxylic acid,
SCHEMBL14230480,
CTK5H6563,
DTXSID00587765,
4-Thiazolecarboxylic acid, 2-iodo-,
MFCD09991913,
ZINC26896599,
AKOS023095392,
FT-0705850,
I80001,
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| 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
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Certificate of Analysis
Lot Number