| CAS Number | 941868-74-2 |
| Catalog Number | AG01ARCC(AGN-PC-0WCNKU) |
| Chemical Name | 2-amino-7-(thiophen-2-yl)-4H,5H-[1,3]thiazolo[4,5-d]pyridazin-4-one |
| IUPAC Name | 2-amino-7-thiophen-2-yl-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one |
| InChI | InChI=1S/C9H6N4OS2/c10-9-11-6-7(16-9)5(12-13-8(6)14)4-2-1-3-15-4/h1-3H,(H2,10,11)(H,13,14) |
| InChI Key | IFQVPJIWJWUOBJ-UHFFFAOYSA-N |
| MDL Number | MFCD09743096 |
| Molecular Formula | C9H6N4OS2 |
| Molecular Weight | 250.3001 |
| SMILES | NC1SC2=C(C(NN=C2C2SC=CC=2)=O)N=1 |
| Synonyms | 2-Amino-7-(2-thienyl)[1,3]thiazolo[4,5-d]pyridazin-4(5H)-one,
941868-74-2,
ZINC11919853,
AKOS005207940,
AKOS015956375,
MCULE-5581376136,
L-3779,
F2135-0214,
2-amino-7-(thiophen-2-yl)-4H,5H-[1,3]thiazolo[4,5-d]pyridazin-4-one,
2-amino-7-(thiophen-2-yl)-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one,
|
| Complexity | 348 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.998g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.294g/mol |
| Monoisotopic Mass | 249.998g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 137A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number