| CAS Number | 1340436-02-3 |
| Catalog Number | AG01C5XW(AGN-PC-0WCN4E) |
| Chemical Name | 2-Bromo-5-(oxan-4-yl)-1,3,4-thiadiazole |
| IUPAC Name | 2-bromo-5-(oxan-4-yl)-1,3,4-thiadiazole |
| InChI | InChI=1S/C7H9BrN2OS/c8-7-10-9-6(12-7)5-1-3-11-4-2-5/h5H,1-4H2 |
| InChI Key | OJBZZQGPZIRQEX-UHFFFAOYSA-N |
| MDL Number | MFCD18345168 |
| Molecular Formula | C7H9BrN2OS |
| Molecular Weight | 249.1282 |
| SMILES | BrC1SC(C2CCOCC2)=NN=1 |
| Synonyms | 2-bromo-5-(oxan-4-yl)-1,3,4-thiadiazole,
1340436-02-3,
2-bromo-5-(tetrahydro-2H-pyran-4-yl)-1,3,4-thiadiazole,
ZINC71051734,
AKOS012689984,
F8883-3942,
|
| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.962g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.126g/mol |
| Monoisotopic Mass | 247.962g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 63.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number