TL;DR: 4,4'-(Dithiodimethylene)dipyridine (CAS 1020-71-9) is a chemical compound with molecular formula C12H12N2S2 and molecular weight 248.04419 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(pyridin-4-ylmethyldisulfanyl)methyl]pyridine
Also Known As: 4,4'-(Dithiodimethylene)dipyridine, Bis(4-pyridylmethyl) disulfide, NCIStruc1_000841, NCIStruc2_000390, 4-(((4-Pyridinylmethyl)dithio)methyl)pyridine
| Molecular Formula | C12H12N2S2 |
| Molecular Weight | 248.04419 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 76.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 248.04419 Da |
| Heavy Atoms | 16 |
| Complexity | 158.0 |
| SMILES | C1=CN=CC=C1CSSCC2=CC=NC=C2 |
| InChIKey | DAVWLGVBAUGEOK-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4'-(Dithiodimethylene)dipyridine. The TPSA of 76.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4'-(Dithiodimethylene)dipyridine. Following Lipinski's Rule of Five, 4,4'-(Dithiodimethylene)dipyridine has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4,4'-(Dithiodimethylene)dipyridine is 1020-71-9.
The molecular formula of 4,4'-(Dithiodimethylene)dipyridine is C12H12N2S2.
The molecular weight of 4,4'-(Dithiodimethylene)dipyridine is 248.04419 g/mol.
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