![3-pyridin-4-yl-4-[(E)-pyridin-3-ylmethylideneamino]-1H-1,2,4-triazole-5-thione structure](/static/products/487/487033-91-0.png)
3-pyridin-4-yl-4-[(E)-pyridin-3-ylmethylideneamino]-1H-1,2,4-triazole-5-thione
TL;DR: 3-pyridin-4-yl-4-[(E)-pyridin-3-ylmethylideneamino]-1H-1,2,4-triazole-5-thione (CAS 487033-91-0) is a chemical compound with molecular formula C13H10N6S and molecular weight 282.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-pyridin-4-yl-4-[(E)-pyridin-3-ylmethylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: IDI1_032106, 3-pyridin-4-yl-4-[(E)-pyridin-3-ylmethylideneamino]-1H-1,2,4-triazole-5-thione, (E)-4-((pyridin-3-ylmethylene)amino)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol, 4-((1E)-2-(3-pyridyl)-1-azavinyl)-5-(4-pyridyl)-1,2,4-triazole-3-thiol, 5-(pyridin-4-yl)-4-{[(E)-pyridin-3-ylmethylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C13H10N6S |
|---|---|
| Molecular Weight | 282.07 g/mol |
| LogP | 2.27989 |
| Topological Polar Surface Area | 71.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 282.06876 |
| Heavy Atoms | 20 |
| Complexity | 775.38086 |
Chemical Identifiers
| CAS Number | 487033-91-0 |
|---|---|
| SMILES | C1=CC(=CN=C1)/C=N/N2C(=NNC2=S)C3=CC=NC=C3 |
Product Overview
3-pyridin-4-yl-4-[(E)-pyridin-3-ylmethylideneamino]-1H-1,2,4-triazole-5-thione (CAS 487033-91-0), with molecular formula C13H10N6S and molecular weight 282.07 g/mol. IUPAC: 3-pyridin-4-yl-4-[(E)-pyridin-3-ylmethylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 3-pyridin-4-yl-4-[(E)-pyridin-3-ylmethylideneamino]-1H-1,2,4-triazole-5-thione
Property Insights of 3-pyridin-4-yl-4-[(E)-pyridin-3-ylmethylideneamino]-1H-1,2,4-triazole-5-thione
The XLogP value of 2.27989 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-pyridin-4-yl-4-[(E)-pyridin-3-ylmethylideneamino]-1H-1,2,4-triazole-5-thione. The TPSA of 71.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-pyridin-4-yl-4-[(E)-pyridin-3-ylmethylideneamino]-1H-1,2,4-triazole-5-thione. Following Lipinski's Rule of Five, 3-pyridin-4-yl-4-[(E)-pyridin-3-ylmethylideneamino]-1H-1,2,4-triazole-5-thione 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 3-pyridin-4-yl-4-[(E)-pyridin-3-ylmethylideneamino]-1H-1,2,4-triazole-5-thione?
The CAS number of 3-pyridin-4-yl-4-[(E)-pyridin-3-ylmethylideneamino]-1H-1,2,4-triazole-5-thione is 487033-91-0.
What is the molecular formula of 3-pyridin-4-yl-4-[(E)-pyridin-3-ylmethylideneamino]-1H-1,2,4-triazole-5-thione?
The molecular formula of 3-pyridin-4-yl-4-[(E)-pyridin-3-ylmethylideneamino]-1H-1,2,4-triazole-5-thione is C13H10N6S.
What is the molecular weight of 3-pyridin-4-yl-4-[(E)-pyridin-3-ylmethylideneamino]-1H-1,2,4-triazole-5-thione?
The molecular weight of 3-pyridin-4-yl-4-[(E)-pyridin-3-ylmethylideneamino]-1H-1,2,4-triazole-5-thione is 282.07 g/mol.
Where can I buy 3-pyridin-4-yl-4-[(E)-pyridin-3-ylmethylideneamino]-1H-1,2,4-triazole-5-thione?
You can request a quote for 3-pyridin-4-yl-4-[(E)-pyridin-3-ylmethylideneamino]-1H-1,2,4-triazole-5-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-pyridin-4-yl-4-[(E)-pyridin-3-ylmethylideneamino]-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-pyridin-4-yl-4-[(E)-pyridin-3-ylmethylideneamino]-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.