![5-(phenoxymethyl)-4-[(2-pyridinylmethylene)amino]-4H-1,2,4-triazole-3-thiol structure](/static/products/496/496772-60-2.png)
5-(phenoxymethyl)-4-[(2-pyridinylmethylene)amino]-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(phenoxymethyl)-4-[(2-pyridinylmethylene)amino]-4H-1,2,4-triazole-3-thiol (CAS 496772-60-2) is a chemical compound with molecular formula C15H13N5OS and molecular weight 311.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(phenoxymethyl)-4-[(E)-pyridin-2-ylmethylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: 5-(phenoxymethyl)-4-[(2-pyridinylmethylene)amino]-4H-1,2,4-triazole-3-thiol, 3-(phenoxymethyl)-4-[(E)-pyridin-2-ylmethylideneamino]-1H-1,2,4-triazole-5-thione, 3-(phenoxymethyl)-4-(2-pyridylmethyleneamino)-1H-1,2,4-triazole-5-thione, (E)-5-(phenoxymethyl)-4-((pyridin-2-ylmethylene)amino)-4H-1,2,4-triazole-3-thiol, 3-(phenoxymethyl)-4-(2-pyridinylmethylideneamino)-1H-1,2,4-triazole-5-thione
| Molecular Formula | C15H13N5OS |
|---|---|
| Molecular Weight | 311.08 g/mol |
| LogP | 2.79689 |
| Topological Polar Surface Area | 68.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 311.08408 |
| Heavy Atoms | 22 |
| Complexity | 810.70905 |
Chemical Identifiers
| CAS Number | 496772-60-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCC2=NNC(=S)N2/N=C/C3=CC=CC=N3 |
Product Overview
5-(phenoxymethyl)-4-[(2-pyridinylmethylene)amino]-4H-1,2,4-triazole-3-thiol (CAS 496772-60-2), with molecular formula C15H13N5OS and molecular weight 311.08 g/mol. IUPAC: 3-(phenoxymethyl)-4-[(E)-pyridin-2-ylmethylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(phenoxymethyl)-4-[(2-pyridinylmethylene)amino]-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(phenoxymethyl)-4-[(2-pyridinylmethylene)amino]-4H-1,2,4-triazole-3-thiol
The XLogP value of 2.79689 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(phenoxymethyl)-4-[(2-pyridinylmethylene)amino]-4H-1,2,4-triazole-3-thiol. The TPSA of 68.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(phenoxymethyl)-4-[(2-pyridinylmethylene)amino]-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 5-(phenoxymethyl)-4-[(2-pyridinylmethylene)amino]-4H-1,2,4-triazole-3-thiol 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 5-(phenoxymethyl)-4-[(2-pyridinylmethylene)amino]-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(phenoxymethyl)-4-[(2-pyridinylmethylene)amino]-4H-1,2,4-triazole-3-thiol is 496772-60-2.
What is the molecular formula of 5-(phenoxymethyl)-4-[(2-pyridinylmethylene)amino]-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(phenoxymethyl)-4-[(2-pyridinylmethylene)amino]-4H-1,2,4-triazole-3-thiol is C15H13N5OS.
What is the molecular weight of 5-(phenoxymethyl)-4-[(2-pyridinylmethylene)amino]-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(phenoxymethyl)-4-[(2-pyridinylmethylene)amino]-4H-1,2,4-triazole-3-thiol is 311.08 g/mol.
Where can I buy 5-(phenoxymethyl)-4-[(2-pyridinylmethylene)amino]-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(phenoxymethyl)-4-[(2-pyridinylmethylene)amino]-4H-1,2,4-triazole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(phenoxymethyl)-4-[(2-pyridinylmethylene)amino]-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(phenoxymethyl)-4-[(2-pyridinylmethylene)amino]-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.