| CAS Number | 1312537-34-0 |
| Catalog Number | AG01A5NW |
| Chemical Name | 5-Bromo-2-(bromomethyl)-1,3-thiazole |
| IUPAC Name | 5-bromo-2-(bromomethyl)-1,3-thiazole |
| InChI | InChI=1S/C4H3Br2NS/c5-1-4-7-2-3(6)8-4/h2H,1H2 |
| InChI Key | ICSLJIQRUZFXPE-UHFFFAOYSA-N |
| MDL Number | MFCD26402009 |
| Molecular Formula | C4H3Br2NS |
| Molecular Weight | 256.9463 |
| SMILES | BrCC1SC(Br)=CN=1 |
| Synonyms | 5-bromo-2-(bromomethyl)-1,3-thiazole,
1312537-34-0,
5-bromo-2-(bromomethyl)thiazole,
SCHEMBL2018856,
ICSLJIQRUZFXPE-UHFFFAOYSA-N,
Thiazole,5-bromo-2-(bromomethyl)-,
ZINC117797629,
DA-12603,
FT-0737907,
|
| Complexity | 80.4 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.833g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.943g/mol |
| Monoisotopic Mass | 254.835g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number