| CAS Number | 1600307-14-9 |
| Catalog Number | AG01C5Z6 |
| Chemical Name | 3-bromo-5-(oxan-4-yl)-1,2,4-thiadiazole |
| IUPAC Name | 3-bromo-5-(oxan-4-yl)-1,2,4-thiadiazole |
| InChI | InChI=1S/C7H9BrN2OS/c8-7-9-6(12-10-7)5-1-3-11-4-2-5/h5H,1-4H2 |
| InChI Key | FSIMUSKSELUXEI-UHFFFAOYSA-N |
| MDL Number | MFCD28151670 |
| Molecular Formula | C7H9BrN2OS |
| Molecular Weight | 249.1282 |
| SMILES | BrC1N=C(C2CCOCC2)SN=1 |
| Synonyms | 3-bromo-5-(oxan-4-yl)-1,2,4-thiadiazole,
1600307-14-9,
AKOS026676780,
ZINC230109812,
F8886-2795,
3-bromo-5-(tetrahydro-2H-pyran-4-yl)-1,2,4-thiadiazole,
|
| 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 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number