3-(((3-(4-Fluorophenyl)-5-mercapto-4H-1,2,4-triazol-4-YL)imino)methyl)phenol
TL;DR: 3-(((3-(4-Fluorophenyl)-5-mercapto-4H-1,2,4-triazol-4-YL)imino)methyl)phenol (CAS 676589-85-8) is a chemical compound with molecular formula C15H11FN4OS and molecular weight 314.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-fluorophenyl)-4-[(E)-(3-hydroxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: 3-(((3-(4-Fluorophenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)imino)methyl)phenol, (E)-3-(((3-(4-fluorophenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)imino)methyl)phenol, 3-((E)-{[3-(4-fluorophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)phenol, 3-(4-fluorophenyl)-4-[(E)-(3-hydroxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione, 3-{(1E)-2-[5-(4-fluorophenyl)-3-sulfanyl(1,2,4-triazol-4-yl)]-2-azavinyl}pheno l
| Molecular Formula | C15H11FN4OS |
|---|---|
| Molecular Weight | 314.06 g/mol |
| LogP | 3.33459 |
| Topological Polar Surface Area | 66.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.06375 |
| Heavy Atoms | 22 |
| Complexity | 883.05817 |
Chemical Identifiers
| CAS Number | 676589-85-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)O)/C=N/N2C(=NNC2=S)C3=CC=C(C=C3)F |
Product Overview
3-(((3-(4-Fluorophenyl)-5-mercapto-4H-1,2,4-triazol-4-YL)imino)methyl)phenol (CAS 676589-85-8), with molecular formula C15H11FN4OS and molecular weight 314.06 g/mol. IUPAC: 3-(4-fluorophenyl)-4-[(E)-(3-hydroxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 3-(((3-(4-Fluorophenyl)-5-mercapto-4H-1,2,4-triazol-4-YL)imino)methyl)phenol
Property Insights of 3-(((3-(4-Fluorophenyl)-5-mercapto-4H-1,2,4-triazol-4-YL)imino)methyl)phenol
The XLogP value of 3.33459 indicates that 3-(((3-(4-Fluorophenyl)-5-mercapto-4H-1,2,4-triazol-4-YL)imino)methyl)phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(((3-(4-Fluorophenyl)-5-mercapto-4H-1,2,4-triazol-4-YL)imino)methyl)phenol. Following Lipinski's Rule of Five, 3-(((3-(4-Fluorophenyl)-5-mercapto-4H-1,2,4-triazol-4-YL)imino)methyl)phenol has 2 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 3-(((3-(4-Fluorophenyl)-5-mercapto-4H-1,2,4-triazol-4-YL)imino)methyl)phenol?
The CAS number of 3-(((3-(4-Fluorophenyl)-5-mercapto-4H-1,2,4-triazol-4-YL)imino)methyl)phenol is 676589-85-8.
What is the molecular formula of 3-(((3-(4-Fluorophenyl)-5-mercapto-4H-1,2,4-triazol-4-YL)imino)methyl)phenol?
The molecular formula of 3-(((3-(4-Fluorophenyl)-5-mercapto-4H-1,2,4-triazol-4-YL)imino)methyl)phenol is C15H11FN4OS.
What is the molecular weight of 3-(((3-(4-Fluorophenyl)-5-mercapto-4H-1,2,4-triazol-4-YL)imino)methyl)phenol?
The molecular weight of 3-(((3-(4-Fluorophenyl)-5-mercapto-4H-1,2,4-triazol-4-YL)imino)methyl)phenol is 314.06 g/mol.
Where can I buy 3-(((3-(4-Fluorophenyl)-5-mercapto-4H-1,2,4-triazol-4-YL)imino)methyl)phenol?
You can request a quote for 3-(((3-(4-Fluorophenyl)-5-mercapto-4H-1,2,4-triazol-4-YL)imino)methyl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(((3-(4-Fluorophenyl)-5-mercapto-4H-1,2,4-triazol-4-YL)imino)methyl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 3-(((3-(4-Fluorophenyl)-5-mercapto-4H-1,2,4-triazol-4-YL)imino)methyl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.