5-(4-Fluorophenyl)-4-((3-methylbenzylidene)amino)-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(4-Fluorophenyl)-4-((3-methylbenzylidene)amino)-4H-1,2,4-triazole-3-thiol (CAS 677016-30-7) is a chemical compound with molecular formula C16H13FN4S and molecular weight 312.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-fluorophenyl)-4-[(E)-(3-methylphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: 5-(4-Fluorophenyl)-4-((3-methylbenzylidene)amino)-4H-1,2,4-triazole-3-thiol, (E)-5-(4-fluorophenyl)-4-((3-methylbenzylidene)amino)-4H-1,2,4-triazole-3-thiol, 4-[(1E)-2-(3-methylphenyl)-1-azavinyl]-5-(4-fluorophenyl)-1,2,4-triazole-3-thi ol, 5-(4-fluorophenyl)-4-{[(E)-(3-methylphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione, 643-317-5
| Molecular Formula | C16H13FN4S |
|---|---|
| Molecular Weight | 312.08 g/mol |
| LogP | 3.93741 |
| Topological Polar Surface Area | 45.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.0845 |
| Heavy Atoms | 22 |
| Complexity | 877.6615 |
Chemical Identifiers
| CAS Number | 677016-30-7 |
|---|---|
| SMILES | CC1=CC(=CC=C1)/C=N/N2C(=NNC2=S)C3=CC=C(C=C3)F |
Product Overview
5-(4-Fluorophenyl)-4-((3-methylbenzylidene)amino)-4H-1,2,4-triazole-3-thiol (CAS 677016-30-7), with molecular formula C16H13FN4S and molecular weight 312.08 g/mol. IUPAC: 3-(4-fluorophenyl)-4-[(E)-(3-methylphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(4-Fluorophenyl)-4-((3-methylbenzylidene)amino)-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(4-Fluorophenyl)-4-((3-methylbenzylidene)amino)-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.93741 indicates that 5-(4-Fluorophenyl)-4-((3-methylbenzylidene)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 45.97 Ų, 5-(4-Fluorophenyl)-4-((3-methylbenzylidene)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-Fluorophenyl)-4-((3-methylbenzylidene)amino)-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-(4-Fluorophenyl)-4-((3-methylbenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(4-Fluorophenyl)-4-((3-methylbenzylidene)amino)-4H-1,2,4-triazole-3-thiol is 677016-30-7.
What is the molecular formula of 5-(4-Fluorophenyl)-4-((3-methylbenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(4-Fluorophenyl)-4-((3-methylbenzylidene)amino)-4H-1,2,4-triazole-3-thiol is C16H13FN4S.
What is the molecular weight of 5-(4-Fluorophenyl)-4-((3-methylbenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(4-Fluorophenyl)-4-((3-methylbenzylidene)amino)-4H-1,2,4-triazole-3-thiol is 312.08 g/mol.
Where can I buy 5-(4-Fluorophenyl)-4-((3-methylbenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(4-Fluorophenyl)-4-((3-methylbenzylidene)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-Fluorophenyl)-4-((3-methylbenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Fluorophenyl)-4-((3-methylbenzylidene)amino)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.