| CAS Number | 1036990-54-1 |
| Catalog Number | AG00J3EM(AGN-PC-0WB84J) |
| Chemical Name | 3-Bromo-1,2,4-thiadiazole |
| IUPAC Name | 3-bromo-1,2,4-thiadiazole |
| InChI | InChI=1S/C2HBrN2S/c3-2-4-1-6-5-2/h1H |
| InChI Key | YMWZHPCPDUFQAL-UHFFFAOYSA-N |
| MDL Number | MFCD11848380 |
| Molecular Formula | C2HBrN2S |
| Molecular Weight | 165.0117 |
| SMILES | C1=NC(=NS1)Br |
| Synonyms | 3-bromo-1,2,4-thiadiazole,
1036990-54-1,
3-BROMO-[1,2,4]THIADIAZOLE,
SCHEMBL1328027,
MFCD11848380,
ZINC82404151,
AKOS022713835,
SC-26365,
|
| Complexity | 50.8 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 163.904g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 6 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 165.008g/mol |
| Monoisotopic Mass | 163.904g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 54A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number