| CAS Number | 1339415-01-8 |
| Catalog Number | AG01AFYR(AGN-PC-0WOBHK) |
| Chemical Name | 2-Bromo-5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole |
| IUPAC Name | 2-bromo-5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole |
| InChI | InChI=1S/C4H2BrF3N2S/c5-3-10-9-2(11-3)1-4(6,7)8/h1H2 |
| InChI Key | RDYMXCAGPMNNQH-UHFFFAOYSA-N |
| MDL Number | MFCD18345109 |
| Molecular Formula | C4H2BrF3N2S |
| Molecular Weight | 247.0363 |
| SMILES | FC(CC1SC(Br)=NN=1)(F)F |
| Synonyms | 2-bromo-5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole,
1339415-01-8,
ZINC71051562,
AKOS012690108,
NE33335,
|
| Complexity | 142 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.907g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.033g/mol |
| Monoisotopic Mass | 245.907g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number