5-((Naphthalen-1-yloxy)methyl)-4-phenyl-4H-1,2,4-triazole-3-thiol
TL;DR: 5-((Naphthalen-1-yloxy)methyl)-4-phenyl-4H-1,2,4-triazole-3-thiol (CAS 142142-73-2) is a chemical compound with molecular formula C19H15N3OS and molecular weight 333.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(naphthalen-1-yloxymethyl)-4-phenyl-1H-1,2,4-triazole-5-thione
Also Known As: 5-((Naphthalen-1-yloxy)methyl)-4-phenyl-4H-1,2,4-triazole-3-thiol, 5-(naphthyloxymethyl)-4-phenyl-1,2,4-triazole-3-thiol, BAS 02070670, J1.600.442A, 3-(naphthalen-1-yloxymethyl)-4-phenyl-1H-1,2,4-triazole-5-thione
| Molecular Formula | C19H15N3OS |
|---|---|
| Molecular Weight | 333.09 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 69.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 333.0936 |
| Heavy Atoms | 24 |
| Complexity | 489.0 |
Chemical Identifiers
| CAS Number | 142142-73-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NNC2=S)COC3=CC=CC4=CC=CC=C43 |
| InChIKey | MXVHEZOEAAPXQC-UHFFFAOYSA-N |
Product Overview
5-((Naphthalen-1-yloxy)methyl)-4-phenyl-4H-1,2,4-triazole-3-thiol (CAS 142142-73-2), with molecular formula C19H15N3OS and molecular weight 333.09 g/mol. IUPAC: 3-(naphthalen-1-yloxymethyl)-4-phenyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-((Naphthalen-1-yloxy)methyl)-4-phenyl-4H-1,2,4-triazole-3-thiol
Property Insights of 5-((Naphthalen-1-yloxy)methyl)-4-phenyl-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.5 indicates that 5-((Naphthalen-1-yloxy)methyl)-4-phenyl-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-((Naphthalen-1-yloxy)methyl)-4-phenyl-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 5-((Naphthalen-1-yloxy)methyl)-4-phenyl-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 5-((Naphthalen-1-yloxy)methyl)-4-phenyl-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-((Naphthalen-1-yloxy)methyl)-4-phenyl-4H-1,2,4-triazole-3-thiol is 142142-73-2.
What is the molecular formula of 5-((Naphthalen-1-yloxy)methyl)-4-phenyl-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-((Naphthalen-1-yloxy)methyl)-4-phenyl-4H-1,2,4-triazole-3-thiol is C19H15N3OS.
What is the molecular weight of 5-((Naphthalen-1-yloxy)methyl)-4-phenyl-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-((Naphthalen-1-yloxy)methyl)-4-phenyl-4H-1,2,4-triazole-3-thiol is 333.09 g/mol.
Where can I buy 5-((Naphthalen-1-yloxy)methyl)-4-phenyl-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-((Naphthalen-1-yloxy)methyl)-4-phenyl-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-((Naphthalen-1-yloxy)methyl)-4-phenyl-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-((Naphthalen-1-yloxy)methyl)-4-phenyl-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.