| CAS Number | 950148-79-5 |
| Catalog Number | AG019L43 |
| Chemical Name | 8-fluoro-5H-pyridazino[4,5-b]indole-4-thiol |
| IUPAC Name | 8-fluoro-3,5-dihydropyridazino[4,5-b]indole-4-thione |
| InChI | InChI=1S/C10H6FN3S/c11-5-1-2-8-6(3-5)7-4-12-14-10(15)9(7)13-8/h1-4,13H,(H,14,15) |
| InChI Key | OPFRWXOSTFUEEV-UHFFFAOYSA-N |
| MDL Number | MFCD26143770 |
| Molecular Formula | C10H6FN3S |
| Molecular Weight | 219.2381 |
| SMILES | FC1=CC2=C(NC3=C2C=NN=C3S)C=C1 |
| Synonyms | 8-fluoro-5H-pyridazino[4,5-b]indole-4-thiol,
950148-79-5,
8-fluoro-3,5-dihydro-4H-pyridazino[4,5-b]indole-4-thione,
8-fluoro-3H,4H,5H-pyridazino[4,5-b]indole-4-thione,
AC1Q4N14,
CTK7C1440,
ZINC12803943,
AKOS022225614,
MCULE-8245350459,
NE28274,
EN300-29761,
Z295123912,
|
| Complexity | 320 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.027g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.237g/mol |
| Monoisotopic Mass | 219.027g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 72.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number