5-(Phenoxymethyl)-4-((2-thienylmethylene)amino)-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(Phenoxymethyl)-4-((2-thienylmethylene)amino)-4H-1,2,4-triazole-3-thiol (CAS 488744-17-8) is a chemical compound with molecular formula C14H12N4OS2 and molecular weight 316.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(phenoxymethyl)-4-[(E)-thiophen-2-ylmethylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: 3-(phenoxymethyl)-4-[(E)-thiophen-2-ylmethylideneamino]-1H-1,2,4-triazole-5-thione, 5-(PHENOXYMETHYL)-4-((2-THIENYLMETHYLENE)AMINO)-4H-1,2,4-TRIAZOLE-3-THIOL, (E)-5-(phenoxymethyl)-4-((thiophen-2-ylmethylene)amino)-4H-1,2,4-triazole-3-thiol, 4-((1E)-2-(2-thienyl)-1-azavinyl)-5-(phenoxymethyl)-1,2,4-triazole-3-thiol, 5-Phenoxymethyl-4-{[1-thiophen-2-yl-meth-(E)-ylidene]-amino}-4H-[1,2,4]triazole-3-thiol
| Molecular Formula | C14H12N4OS2 |
|---|---|
| Molecular Weight | 316.05 g/mol |
| LogP | 3.46339 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 316.04526 |
| Heavy Atoms | 21 |
| Complexity | 774.92426 |
Chemical Identifiers
| CAS Number | 488744-17-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCC2=NNC(=S)N2/N=C/C3=CC=CS3 |
Product Overview
5-(Phenoxymethyl)-4-((2-thienylmethylene)amino)-4H-1,2,4-triazole-3-thiol (CAS 488744-17-8), with molecular formula C14H12N4OS2 and molecular weight 316.05 g/mol. IUPAC: 3-(phenoxymethyl)-4-[(E)-thiophen-2-ylmethylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(Phenoxymethyl)-4-((2-thienylmethylene)amino)-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(Phenoxymethyl)-4-((2-thienylmethylene)amino)-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.46339 indicates that 5-(Phenoxymethyl)-4-((2-thienylmethylene)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-(Phenoxymethyl)-4-((2-thienylmethylene)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-(Phenoxymethyl)-4-((2-thienylmethylene)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-thienylmethylene)amino)-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(Phenoxymethyl)-4-((2-thienylmethylene)amino)-4H-1,2,4-triazole-3-thiol is 488744-17-8.
What is the molecular formula of 5-(Phenoxymethyl)-4-((2-thienylmethylene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(Phenoxymethyl)-4-((2-thienylmethylene)amino)-4H-1,2,4-triazole-3-thiol is C14H12N4OS2.
What is the molecular weight of 5-(Phenoxymethyl)-4-((2-thienylmethylene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(Phenoxymethyl)-4-((2-thienylmethylene)amino)-4H-1,2,4-triazole-3-thiol is 316.05 g/mol.
Where can I buy 5-(Phenoxymethyl)-4-((2-thienylmethylene)amino)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(Phenoxymethyl)-4-((2-thienylmethylene)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-thienylmethylene)amino)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(Phenoxymethyl)-4-((2-thienylmethylene)amino)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.