TL;DR: 3-Pyridinecarbonitrile, 2,2'-dithiobis(4,6-diphenyl- (CAS 78564-24-6) is a chemical compound with molecular formula C36H22N4S2 and molecular weight 574.1286 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(3-cyano-4,6-diphenyl-2-pyridinyl)disulfanyl]-4,6-diphenylpyridine-3-carbonitrile
Also Known As: 2,2'-Bis(3-cyano-4,6-diphenylpyridyl) disulfide, Bis(3-cyano-4,6-diphenylpyridin-2-yl) persulfide, 3-Pyridinecarbonitrile, 2,2'-dithiobis(4,6-diphenyl-, 3-Pyridinecarbonitrile, 2,2'-dithiobis[4,6-diphenyl-, 2,2'-Disulfanediylbis(4,6-diphenylpyridine-3-carbonitrile)
| Molecular Formula | C36H22N4S2 |
| Molecular Weight | 574.1286 g/mol |
| XLogP | 8.6 |
| Topological Polar Surface Area (TPSA) | 124.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 574.1286 Da |
| Heavy Atoms | 42 |
| Complexity | 855.0 |
| SMILES | C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SSC3=C(C(=CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5)C#N)C6=CC=CC=C6 |
| InChIKey | IOBSIYIWKIGEMW-UHFFFAOYSA-N |
The XLogP value of 8.6 indicates that 3-Pyridinecarbonitrile, 2,2'-dithiobis(4,6-diphenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Pyridinecarbonitrile, 2,2'-dithiobis(4,6-diphenyl-. Following Lipinski's Rule of Five, 3-Pyridinecarbonitrile, 2,2'-dithiobis(4,6-diphenyl- has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3-Pyridinecarbonitrile, 2,2'-dithiobis(4,6-diphenyl- is 78564-24-6.
The molecular formula of 3-Pyridinecarbonitrile, 2,2'-dithiobis(4,6-diphenyl- is C36H22N4S2.
The molecular weight of 3-Pyridinecarbonitrile, 2,2'-dithiobis(4,6-diphenyl- is 574.1286 g/mol.
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