| CAS Number | 1223490-45-6 |
| Catalog Number | AG019WAE(AGN-PC-0WO383) |
| Chemical Name | 2-BROMO-5H-[1,3,4]THIADIAZOLO[3,2-A]PYRIMIDIN-5-ONE |
| IUPAC Name | 2-bromo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| InChI | InChI=1S/C5H2BrN3OS/c6-4-8-9-3(10)1-2-7-5(9)11-4/h1-2H |
| InChI Key | DXQBDFKUPBTBCB-UHFFFAOYSA-N |
| MDL Number | MFCD14705569 |
| Molecular Formula | C5H2BrN3OS |
| Molecular Weight | 232.0579 |
| SMILES | BrC1SC2N(C(C=CN=2)=O)N=1 |
| Synonyms | 2-bromo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one,
1223490-45-6,
2-bromo-7H-pyrimido[2,1-b][1,3,4]thiadiazol-7-one,
AC1Q25DA,
ZINC39947108,
AKOS026727136,
MCULE-6326285039,
NE41173,
CS-0078634,
EN300-51223,
|
| Complexity | 309 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.91g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.055g/mol |
| Monoisotopic Mass | 230.91g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 70.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number