![5-(4-methylphenyl)-4-[(4-pyridinylmethylene)amino]-4H-1,2,4-triazole-3-thiol structure](/static/products/430/430447-72-6.png)
5-(4-methylphenyl)-4-[(4-pyridinylmethylene)amino]-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(4-methylphenyl)-4-[(4-pyridinylmethylene)amino]-4H-1,2,4-triazole-3-thiol (CAS 430447-72-6) is a chemical compound with molecular formula C15H13N5S and molecular weight 295.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylphenyl)-4-[(E)-pyridin-4-ylmethylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: BRD-K49839305-001-01-9, 5-(4-methylphenyl)-4-[(4-pyridinylmethylene)amino]-4H-1,2,4-triazole-3-thiol, 3-(p-tolyl)-4-(4-pyridylmethyleneamino)-1H-1,2,4-triazole-5-thione, (E)-4-((pyridin-4-ylmethylene)amino)-5-(p-tolyl)-4H-1,2,4-triazole-3-thiol, 3-(4-methylphenyl)-4-(pyridin-4-ylmethylideneamino)-1H-1,2,4-triazole-5-thione
| Molecular Formula | C15H13N5S |
|---|---|
| Molecular Weight | 295.09 g/mol |
| LogP | 3.19331 |
| Topological Polar Surface Area | 58.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.08917 |
| Heavy Atoms | 21 |
| Complexity | 815.27527 |
Chemical Identifiers
| CAS Number | 430447-72-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NNC(=S)N2/N=C/C3=CC=NC=C3 |
Product Overview
5-(4-methylphenyl)-4-[(4-pyridinylmethylene)amino]-4H-1,2,4-triazole-3-thiol (CAS 430447-72-6), with molecular formula C15H13N5S and molecular weight 295.09 g/mol. IUPAC: 3-(4-methylphenyl)-4-[(E)-pyridin-4-ylmethylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(4-methylphenyl)-4-[(4-pyridinylmethylene)amino]-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(4-methylphenyl)-4-[(4-pyridinylmethylene)amino]-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.19331 indicates that 5-(4-methylphenyl)-4-[(4-pyridinylmethylene)amino]-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.86 Ų, 5-(4-methylphenyl)-4-[(4-pyridinylmethylene)amino]-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-methylphenyl)-4-[(4-pyridinylmethylene)amino]-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 4 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-(4-methylphenyl)-4-[(4-pyridinylmethylene)amino]-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(4-methylphenyl)-4-[(4-pyridinylmethylene)amino]-4H-1,2,4-triazole-3-thiol is 430447-72-6.
What is the molecular formula of 5-(4-methylphenyl)-4-[(4-pyridinylmethylene)amino]-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(4-methylphenyl)-4-[(4-pyridinylmethylene)amino]-4H-1,2,4-triazole-3-thiol is C15H13N5S.
What is the molecular weight of 5-(4-methylphenyl)-4-[(4-pyridinylmethylene)amino]-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(4-methylphenyl)-4-[(4-pyridinylmethylene)amino]-4H-1,2,4-triazole-3-thiol is 295.09 g/mol.
Where can I buy 5-(4-methylphenyl)-4-[(4-pyridinylmethylene)amino]-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(4-methylphenyl)-4-[(4-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-(4-methylphenyl)-4-[(4-pyridinylmethylene)amino]-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-methylphenyl)-4-[(4-pyridinylmethylene)amino]-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.