(E)-4-((naphthalen-1-ylmethylene)amino)-5-(p-tolyl)-4H-1,2,4-triazole-3-thiol
TL;DR: (E)-4-((naphthalen-1-ylmethylene)amino)-5-(p-tolyl)-4H-1,2,4-triazole-3-thiol (CAS 613230-65-2) is a chemical compound with molecular formula C20H16N4S and molecular weight 344.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylphenyl)-4-[(E)-naphthalen-1-ylmethylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: (E)-4-((naphthalen-1-ylmethylene)amino)-5-(p-tolyl)-4H-1,2,4-triazole-3-thiol, 3-(4-methylphenyl)-4-[(E)-naphthalen-1-ylmethylideneamino]-1H-1,2,4-triazole-5-thione, 5-(4-methylphenyl)-4-{[(E)-naphthalen-1-ylmethylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C20H16N4S |
|---|---|
| Molecular Weight | 344.11 g/mol |
| LogP | 4.95151 |
| Topological Polar Surface Area | 45.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 344.10956 |
| Heavy Atoms | 25 |
| Complexity | 1115.1124 |
Chemical Identifiers
| CAS Number | 613230-65-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NNC(=S)N2/N=C/C3=CC=CC4=CC=CC=C43 |
Product Overview
(E)-4-((naphthalen-1-ylmethylene)amino)-5-(p-tolyl)-4H-1,2,4-triazole-3-thiol (CAS 613230-65-2), with molecular formula C20H16N4S and molecular weight 344.11 g/mol. IUPAC: 3-(4-methylphenyl)-4-[(E)-naphthalen-1-ylmethylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of (E)-4-((naphthalen-1-ylmethylene)amino)-5-(p-tolyl)-4H-1,2,4-triazole-3-thiol
Property Insights of (E)-4-((naphthalen-1-ylmethylene)amino)-5-(p-tolyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.95151 indicates that (E)-4-((naphthalen-1-ylmethylene)amino)-5-(p-tolyl)-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 45.97 Ų, (E)-4-((naphthalen-1-ylmethylene)amino)-5-(p-tolyl)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-4-((naphthalen-1-ylmethylene)amino)-5-(p-tolyl)-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 3 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 (E)-4-((naphthalen-1-ylmethylene)amino)-5-(p-tolyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of (E)-4-((naphthalen-1-ylmethylene)amino)-5-(p-tolyl)-4H-1,2,4-triazole-3-thiol is 613230-65-2.
What is the molecular formula of (E)-4-((naphthalen-1-ylmethylene)amino)-5-(p-tolyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of (E)-4-((naphthalen-1-ylmethylene)amino)-5-(p-tolyl)-4H-1,2,4-triazole-3-thiol is C20H16N4S.
What is the molecular weight of (E)-4-((naphthalen-1-ylmethylene)amino)-5-(p-tolyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of (E)-4-((naphthalen-1-ylmethylene)amino)-5-(p-tolyl)-4H-1,2,4-triazole-3-thiol is 344.11 g/mol.
Where can I buy (E)-4-((naphthalen-1-ylmethylene)amino)-5-(p-tolyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for (E)-4-((naphthalen-1-ylmethylene)amino)-5-(p-tolyl)-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 (E)-4-((naphthalen-1-ylmethylene)amino)-5-(p-tolyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-((naphthalen-1-ylmethylene)amino)-5-(p-tolyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.