5-(4-Methoxyphenyl)-4-((1-naphthylmethylene)amino)-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(4-Methoxyphenyl)-4-((1-naphthylmethylene)amino)-4H-1,2,4-triazole-3-thiol (CAS 613231-54-2) is a chemical compound with molecular formula C20H16N4OS and molecular weight 360.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methoxyphenyl)-4-[(E)-naphthalen-1-ylmethylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: (E)-5-(4-methoxyphenyl)-4-((naphthalen-1-ylmethylene)amino)-4H-1,2,4-triazole-3-thiol, 3-(4-methoxyphenyl)-4-[(E)-naphthalen-1-ylmethylideneamino]-1H-1,2,4-triazole-5-thione, 5-(4-METHOXYPHENYL)-4-((1-NAPHTHYLMETHYLENE)AMINO)-4H-1,2,4-TRIAZOLE-3-THIOL, 5-(4-methoxyphenyl)-4-{[(E)-naphthalen-1-ylmethylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C20H16N4OS |
|---|---|
| Molecular Weight | 360.10 g/mol |
| LogP | 4.65169 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 360.1045 |
| Heavy Atoms | 26 |
| Complexity | 1137.16 |
Chemical Identifiers
| CAS Number | 613231-54-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NNC(=S)N2/N=C/C3=CC=CC4=CC=CC=C43 |
Product Overview
5-(4-Methoxyphenyl)-4-((1-naphthylmethylene)amino)-4H-1,2,4-triazole-3-thiol (CAS 613231-54-2), with molecular formula C20H16N4OS and molecular weight 360.10 g/mol. IUPAC: 3-(4-methoxyphenyl)-4-[(E)-naphthalen-1-ylmethylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(4-Methoxyphenyl)-4-((1-naphthylmethylene)amino)-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(4-Methoxyphenyl)-4-((1-naphthylmethylene)amino)-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.65169 indicates that 5-(4-Methoxyphenyl)-4-((1-naphthylmethylene)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 55.2 Ų, 5-(4-Methoxyphenyl)-4-((1-naphthylmethylene)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-Methoxyphenyl)-4-((1-naphthylmethylene)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-Methoxyphenyl)-4-((1-naphthylmethylene)amino)-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(4-Methoxyphenyl)-4-((1-naphthylmethylene)amino)-4H-1,2,4-triazole-3-thiol is 613231-54-2.
What is the molecular formula of 5-(4-Methoxyphenyl)-4-((1-naphthylmethylene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(4-Methoxyphenyl)-4-((1-naphthylmethylene)amino)-4H-1,2,4-triazole-3-thiol is C20H16N4OS.
What is the molecular weight of 5-(4-Methoxyphenyl)-4-((1-naphthylmethylene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(4-Methoxyphenyl)-4-((1-naphthylmethylene)amino)-4H-1,2,4-triazole-3-thiol is 360.10 g/mol.
Where can I buy 5-(4-Methoxyphenyl)-4-((1-naphthylmethylene)amino)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(4-Methoxyphenyl)-4-((1-naphthylmethylene)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-Methoxyphenyl)-4-((1-naphthylmethylene)amino)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Methoxyphenyl)-4-((1-naphthylmethylene)amino)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.