Pyridine, 4-(3-(2-pyridylmercapto)-5-(4H-1,2,4-triazolyl))-
TL;DR: Pyridine, 4-(3-(2-pyridylmercapto)-5-(4H-1,2,4-triazolyl))- (CAS 3652-27-5) is a chemical compound with molecular formula C12H9N5S and molecular weight 255.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine
Also Known As: 4-[5-2h-1,2,4-triazol-3-yl]pyridine, 4H-1,2,4-Triazole, 3-(2-pyridylmercapto)-5-(4-pyridyl)-, 3-(2-Pyridylmercapto)-5-(4-pyridyl)-1,2,4(H)-triazole, 4-[5- -2H-1,2,4-triazol-3-yl]pyridine, Pyridine, 4-(3-(2-pyridylmercapto)-5-(4H-1,2,4-triazolyl))-
| Molecular Formula | C12H9N5S |
|---|---|
| Molecular Weight | 255.06 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 255.05786 |
| Heavy Atoms | 18 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 3652-27-5 |
|---|---|
| SMILES | C1=CC=NC(=C1)SC2=NNC(=N2)C3=CC=NC=C3 |
| InChIKey | IVHJYIJZCMADLP-UHFFFAOYSA-N |
Product Overview
Pyridine, 4-(3-(2-pyridylmercapto)-5-(4H-1,2,4-triazolyl))- (CAS 3652-27-5), with molecular formula C12H9N5S and molecular weight 255.06 g/mol. IUPAC: 2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine.
Chemical Property Profile of Pyridine, 4-(3-(2-pyridylmercapto)-5-(4H-1,2,4-triazolyl))-
Property Insights of Pyridine, 4-(3-(2-pyridylmercapto)-5-(4H-1,2,4-triazolyl))-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyridine, 4-(3-(2-pyridylmercapto)-5-(4H-1,2,4-triazolyl))-. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyridine, 4-(3-(2-pyridylmercapto)-5-(4H-1,2,4-triazolyl))-. Following Lipinski's Rule of Five, Pyridine, 4-(3-(2-pyridylmercapto)-5-(4H-1,2,4-triazolyl))- has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pyridine, 4-(3-(2-pyridylmercapto)-5-(4H-1,2,4-triazolyl))-?
The CAS number of Pyridine, 4-(3-(2-pyridylmercapto)-5-(4H-1,2,4-triazolyl))- is 3652-27-5.
What is the molecular formula of Pyridine, 4-(3-(2-pyridylmercapto)-5-(4H-1,2,4-triazolyl))-?
The molecular formula of Pyridine, 4-(3-(2-pyridylmercapto)-5-(4H-1,2,4-triazolyl))- is C12H9N5S.
What is the molecular weight of Pyridine, 4-(3-(2-pyridylmercapto)-5-(4H-1,2,4-triazolyl))-?
The molecular weight of Pyridine, 4-(3-(2-pyridylmercapto)-5-(4H-1,2,4-triazolyl))- is 255.06 g/mol.
Where can I buy Pyridine, 4-(3-(2-pyridylmercapto)-5-(4H-1,2,4-triazolyl))-?
You can request a quote for Pyridine, 4-(3-(2-pyridylmercapto)-5-(4H-1,2,4-triazolyl))- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridine, 4-(3-(2-pyridylmercapto)-5-(4H-1,2,4-triazolyl))-?
Yes, KEHONG BIO provides custom synthesis services for Pyridine, 4-(3-(2-pyridylmercapto)-5-(4H-1,2,4-triazolyl))- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.