| CAS Number | 1540455-07-9 |
| Catalog Number | AG01BAP5 |
| Chemical Name | 5-Iodo-1,3-thiazole-2-carbaldehyde |
| IUPAC Name | 5-iodo-1,3-thiazole-2-carbaldehyde |
| InChI | InChI=1S/C4H2INOS/c5-3-1-6-4(2-7)8-3/h1-2H |
| InChI Key | SMIRJKYJGSAUNO-UHFFFAOYSA-N |
| MDL Number | MFCD21728910 |
| Molecular Formula | C4H2INOS |
| Molecular Weight | 239.0342 |
| SMILES | O=CC1=NC=C(I)S1 |
| Synonyms | 5-Iodothiazole-2-carbaldehyde,
1540455-07-9,
5-iodo-1,3-thiazole-2-carbaldehyde,
SCHEMBL10272882,
MFCD21728910,
ZINC85352197,
AKOS015566840,
|
| Complexity | 100 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.89g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.03g/mol |
| Monoisotopic Mass | 238.89g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 58.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number