![4-Allyl-5-(3-fluoro-phenyl)-4H-[1,2,4]triazole-3-thiol structure](/static/products/879/879612-66-5.png)
4-Allyl-5-(3-fluoro-phenyl)-4H-[1,2,4]triazole-3-thiol
TL;DR: 4-Allyl-5-(3-fluoro-phenyl)-4H-[1,2,4]triazole-3-thiol (CAS 879612-66-5) is a chemical compound with molecular formula C11H10FN3S and molecular weight 235.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-fluorophenyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
Also Known As: 4-Allyl-5-(3-fluoro-phenyl)-4H-[1,2,4]triazole-3-thiol, BB 0217223, 4-Allyl-5-(3-fluoro-phenyl)-4H-[1,2,4]triazole-3 -thiol, 3-(3-fluorophenyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione, 5-(3-fluorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C11H10FN3S |
|---|---|
| Molecular Weight | 235.06 g/mol |
| LogP | 2.93279 |
| Topological Polar Surface Area | 33.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.05795 |
| Heavy Atoms | 16 |
| Complexity | 570.6038 |
Chemical Identifiers
| CAS Number | 879612-66-5 |
|---|---|
| SMILES | C=CCN1C(=NNC1=S)C2=CC(=CC=C2)F |
Product Overview
4-Allyl-5-(3-fluoro-phenyl)-4H-[1,2,4]triazole-3-thiol (CAS 879612-66-5), with molecular formula C11H10FN3S and molecular weight 235.06 g/mol. IUPAC: 3-(3-fluorophenyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-Allyl-5-(3-fluoro-phenyl)-4H-[1,2,4]triazole-3-thiol
Property Insights of 4-Allyl-5-(3-fluoro-phenyl)-4H-[1,2,4]triazole-3-thiol
The XLogP value of 2.93279 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Allyl-5-(3-fluoro-phenyl)-4H-[1,2,4]triazole-3-thiol. With a topological polar surface area (TPSA) of 33.61 Ų, 4-Allyl-5-(3-fluoro-phenyl)-4H-[1,2,4]triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Allyl-5-(3-fluoro-phenyl)-4H-[1,2,4]triazole-3-thiol has 1 hydrogen bond donor(s) and 2 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 4-Allyl-5-(3-fluoro-phenyl)-4H-[1,2,4]triazole-3-thiol?
The CAS number of 4-Allyl-5-(3-fluoro-phenyl)-4H-[1,2,4]triazole-3-thiol is 879612-66-5.
What is the molecular formula of 4-Allyl-5-(3-fluoro-phenyl)-4H-[1,2,4]triazole-3-thiol?
The molecular formula of 4-Allyl-5-(3-fluoro-phenyl)-4H-[1,2,4]triazole-3-thiol is C11H10FN3S.
What is the molecular weight of 4-Allyl-5-(3-fluoro-phenyl)-4H-[1,2,4]triazole-3-thiol?
The molecular weight of 4-Allyl-5-(3-fluoro-phenyl)-4H-[1,2,4]triazole-3-thiol is 235.06 g/mol.
Where can I buy 4-Allyl-5-(3-fluoro-phenyl)-4H-[1,2,4]triazole-3-thiol?
You can request a quote for 4-Allyl-5-(3-fluoro-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 4-Allyl-5-(3-fluoro-phenyl)-4H-[1,2,4]triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-Allyl-5-(3-fluoro-phenyl)-4H-[1,2,4]triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.