![5-{[(4,6-dimethylpyrimidin-2-yl)thio]methyl}-4-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol structure](/static/products/887/887205-52-9.png)
5-{[(4,6-dimethylpyrimidin-2-yl)thio]methyl}-4-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 5-{[(4,6-dimethylpyrimidin-2-yl)thio]methyl}-4-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol (CAS 887205-52-9) is a chemical compound with molecular formula C15H14FN5S2 and molecular weight 347.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 5-{[(4,6-dimethylpyrimidin-2-yl)thio]methyl}-4-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol, L-4070, 5-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-4-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol, F1923-0021, 3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione
| Molecular Formula | C15H14FN5S2 |
|---|---|
| Molecular Weight | 347.07 g/mol |
| LogP | 3.76813 |
| Topological Polar Surface Area | 59.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.06747 |
| Heavy Atoms | 23 |
| Complexity | 865.37805 |
Chemical Identifiers
| CAS Number | 887205-52-9 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SCC2=NNC(=S)N2C3=CC=C(C=C3)F)C |
Product Overview
5-{[(4,6-dimethylpyrimidin-2-yl)thio]methyl}-4-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol (CAS 887205-52-9), with molecular formula C15H14FN5S2 and molecular weight 347.07 g/mol. IUPAC: 3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-{[(4,6-dimethylpyrimidin-2-yl)thio]methyl}-4-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 5-{[(4,6-dimethylpyrimidin-2-yl)thio]methyl}-4-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.76813 indicates that 5-{[(4,6-dimethylpyrimidin-2-yl)thio]methyl}-4-(4-fluorophenyl)-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 59.39 Ų, 5-{[(4,6-dimethylpyrimidin-2-yl)thio]methyl}-4-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-{[(4,6-dimethylpyrimidin-2-yl)thio]methyl}-4-(4-fluorophenyl)-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-{[(4,6-dimethylpyrimidin-2-yl)thio]methyl}-4-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-{[(4,6-dimethylpyrimidin-2-yl)thio]methyl}-4-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol is 887205-52-9.
What is the molecular formula of 5-{[(4,6-dimethylpyrimidin-2-yl)thio]methyl}-4-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-{[(4,6-dimethylpyrimidin-2-yl)thio]methyl}-4-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol is C15H14FN5S2.
What is the molecular weight of 5-{[(4,6-dimethylpyrimidin-2-yl)thio]methyl}-4-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-{[(4,6-dimethylpyrimidin-2-yl)thio]methyl}-4-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol is 347.07 g/mol.
Where can I buy 5-{[(4,6-dimethylpyrimidin-2-yl)thio]methyl}-4-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-{[(4,6-dimethylpyrimidin-2-yl)thio]methyl}-4-(4-fluorophenyl)-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-{[(4,6-dimethylpyrimidin-2-yl)thio]methyl}-4-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-{[(4,6-dimethylpyrimidin-2-yl)thio]methyl}-4-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.