| CAS Number | 1152551-96-6 |
| Catalog Number | AG01AD5N |
| Chemical Name | 6-chloro-3-(thiophen-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine |
| IUPAC Name | 6-chloro-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine |
| InChI | InChI=1S/C9H5ClN4S/c10-7-1-2-8-11-12-9(14(8)13-7)6-3-4-15-5-6/h1-5H |
| InChI Key | UIBXBZPWKNYOJZ-UHFFFAOYSA-N |
| MDL Number | MFCD11103590 |
| Molecular Formula | C9H5ClN4S |
| Molecular Weight | 236.6808 |
| SMILES | ClC1=NN2C(=NN=C2C2=CSC=C2)C=C1 |
| Synonyms | 6-chloro-3-(thiophen-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine,
1152551-96-6,
ZINC34962787,
NE28527,
|
| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.992g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.677g/mol |
| Monoisotopic Mass | 235.992g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 71.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number