| CAS Number | 53012-70-7 |
| Catalog Number | AG019SHK(AGN-PC-00M658) |
| Chemical Name | 3-(Bromomethyl)-1,2,5-thiadiazole |
| IUPAC Name | 3-(bromomethyl)-1,2,5-thiadiazole |
| InChI | InChI=1S/C3H3BrN2S/c4-1-3-2-5-7-6-3/h2H,1H2 |
| InChI Key | LJZAHEYFCLYGND-UHFFFAOYSA-N |
| MDL Number | MFCD20621956 |
| Molecular Formula | C3H3BrN2S |
| Molecular Weight | 179.0383 |
| SMILES | BrCC1=NSN=C1 |
| Synonyms | 3-(bromomethyl)-1,2,5-thiadiazole,
3-bromomethyl-1,2,5-thiadiazole,
53012-70-7,
SCHEMBL1929652,
LJZAHEYFCLYGND-UHFFFAOYSA-N,
4-bromomethyl-1,2,5-thiadiazole,
ZINC39616409,
3-(bromomethyl)-[1,2,5]thiadiazole,
|
| Complexity | 60.9 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.92g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.035g/mol |
| Monoisotopic Mass | 177.92g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number