| CAS Number | 304863-71-6 |
| Catalog Number | AG019IZ9 |
| Chemical Name | 4-(4-Fluorophenyl)phthalazine-1-thiol |
| IUPAC Name | 4-(4-fluorophenyl)-2H-phthalazine-1-thione |
| InChI | InChI=1S/C14H9FN2S/c15-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)14(18)17-16-13/h1-8H,(H,17,18) |
| InChI Key | UROOFJSALBQDJA-UHFFFAOYSA-N |
| MDL Number | MFCD03960566 |
| Molecular Formula | C14H9FN2S |
| Molecular Weight | 256.2981 |
| SMILES | FC1=CC=C(C2=C3C(C=CC=C3)=C(S)N=N2)C=C1 |
| Synonyms | 4-(4-fluorophenyl)phthalazine-1-thiol,
304863-71-6,
AC1Q4M4I,
MLS001004932,
AC1M5Y22,
CHEMBL1589123,
CTK7C0302,
CTK8F5387,
HMS2694H14,
ZINC3257596,
AKOS001049479,
AKOS022429632,
MCULE-8746884606,
NE26172,
SMR000348506,
4-(4-fluorophenyl)-2H-phthalazine-1-thione,
EN300-08196,
Z56844687,
ZINC03245538,
CID2362835,
|
| Complexity | 361 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.298g/mol |
| Monoisotopic Mass | 256.047g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 56.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number