| CAS Number | 1494127-23-9 |
| Catalog Number | AG01AV4G(AGN-PC-0WO3AF) |
| Chemical Name | 5-Bromo-3-cyclopropyl-1,2,4-thiadiazole |
| IUPAC Name | 5-bromo-3-cyclopropyl-1,2,4-thiadiazole |
| InChI | InChI=1S/C5H5BrN2S/c6-5-7-4(8-9-5)3-1-2-3/h3H,1-2H2 |
| InChI Key | FJKWDKYPIXOIMD-UHFFFAOYSA-N |
| MDL Number | MFCD21191918 |
| Molecular Formula | C5H5BrN2S |
| Molecular Weight | 205.0756 |
| SMILES | BrC1SN=C(C2CC2)N=1 |
| Synonyms | 5-bromo-3-cyclopropyl-1,2,4-thiadiazole,
1494127-23-9,
ZINC83669849,
AKOS014608727,
NE55942,
|
| Complexity | 118 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.936g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.073g/mol |
| Monoisotopic Mass | 203.936g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number