4-(2-Pyridyldithio)butyramidine
TL;DR: 4-(2-Pyridyldithio)butyramidine (CAS 124985-61-1) is a chemical compound with molecular formula C9H13N3S2 and molecular weight 227.05508 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(pyridin-2-yldisulfanyl)butanimidamide
Also Known As: PDBA, 4-(2-Pyridyldithio)butyramidine, 4-(pyridin-2-yldisulfanyl)butanimidamide, Butanimidamide,4-(2-pyridinyldithio)-, Butanimidamide, 4-(2-pyridinyldithio)-
Technical Specifications
| Molecular Formula | C9H13N3S2 |
| Molecular Weight | 227.05508 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 113.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 227.05508 Da |
| Heavy Atoms | 14 |
| Complexity | 175.0 |
| SMILES | C1=CC=NC(=C1)SSCCCC(=N)N |
| InChIKey | PTLKXMHIRDLHIM-UHFFFAOYSA-N |
Chemical Property Profile of 4-(2-Pyridyldithio)butyramidine
Property Insights of 4-(2-Pyridyldithio)butyramidine
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Pyridyldithio)butyramidine. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Pyridyldithio)butyramidine. Following Lipinski's Rule of Five, 4-(2-Pyridyldithio)butyramidine has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-(2-Pyridyldithio)butyramidine?
The CAS number of 4-(2-Pyridyldithio)butyramidine is 124985-61-1.
What is the molecular formula of 4-(2-Pyridyldithio)butyramidine?
The molecular formula of 4-(2-Pyridyldithio)butyramidine is C9H13N3S2.
What is the molecular weight of 4-(2-Pyridyldithio)butyramidine?
The molecular weight of 4-(2-Pyridyldithio)butyramidine is 227.05508 g/mol.
Where can I buy 4-(2-Pyridyldithio)butyramidine?
You can request a quote for 4-(2-Pyridyldithio)butyramidine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(2-Pyridyldithio)butyramidine?
Yes, CoreyChem provides custom synthesis services for 4-(2-Pyridyldithio)butyramidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.