| CAS Number | 1567092-14-1 |
| Catalog Number | AG01BVHT |
| Chemical Name | 2-(Bromomethyl)-5-ethyl-1,3,4-thiadiazole |
| IUPAC Name | 2-(bromomethyl)-5-ethyl-1,3,4-thiadiazole |
| InChI | InChI=1S/C5H7BrN2S/c1-2-4-7-8-5(3-6)9-4/h2-3H2,1H3 |
| InChI Key | BOTYPOMFJQDQLF-UHFFFAOYSA-N |
| MDL Number | MFCD26135154 |
| Molecular Formula | C5H7BrN2S |
| Molecular Weight | 207.0915 |
| SMILES | CCC1SC(CBr)=NN=1 |
| Synonyms | 2-(bromomethyl)-5-ethyl-1,3,4-thiadiazole,
1567092-14-1,
ZINC156106442,
|
| Complexity | 91 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.951g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.089g/mol |
| Monoisotopic Mass | 205.951g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number