| CAS Number | 49602-30-4 |
| Catalog Number | AG00J2VZ(AGN-PC-0HIVIT) |
| Chemical Name | 5-Iodoisothiazole |
| IUPAC Name | 5-iodo-1,2-thiazole |
| InChI | InChI=1S/C3H2INS/c4-3-1-2-5-6-3/h1-2H |
| InChI Key | IENVYPZXMHMGLD-UHFFFAOYSA-N |
| MDL Number | MFCD22396097 |
| Molecular Formula | C3H2INS |
| Molecular Weight | 211.0242 |
| SMILES | C1(I)SN=CC=1 |
| Synonyms | 5-Iodoisothiazole,
49602-30-4,
SCHEMBL8520384,
MFCD22396097,
ZINC143411685,
|
| Complexity | 50.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.895g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 6 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.02g/mol |
| Monoisotopic Mass | 210.895g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number