4-(3-fluorophenyl)-5-(morpholin-4-yl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-(3-fluorophenyl)-5-(morpholin-4-yl)-4H-1,2,4-triazole-3-thiol (CAS 847744-12-1) is a chemical compound with molecular formula C12H13FN4OS and molecular weight 280.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-fluorophenyl)-3-morpholin-4-yl-1H-1,2,4-triazole-5-thione
Also Known As: 4-(3-fluorophenyl)-5-(morpholin-4-yl)-4H-1,2,4-triazole-3-thiol, 4-(3-fluorophenyl)-5-morpholin-4-yl-4H-1,2,4-triazole-3-thiol, AB00734538-01, 4-(3-fluorophenyl)-3-morpholin-4-yl-1H-1,2,4-triazole-5-thione, 4-(3-fluorophenyl)-3-morpholino-1H-1,2,4-triazole-5-thione
| Molecular Formula | C12H13FN4OS |
|---|---|
| Molecular Weight | 280.08 g/mol |
| LogP | 1.90559 |
| Topological Polar Surface Area | 46.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 280.0794 |
| Heavy Atoms | 19 |
| Complexity | 632.6548 |
Chemical Identifiers
| CAS Number | 847744-12-1 |
|---|---|
| SMILES | C1COCCN1C2=NNC(=S)N2C3=CC(=CC=C3)F |
Product Overview
4-(3-fluorophenyl)-5-(morpholin-4-yl)-4H-1,2,4-triazole-3-thiol (CAS 847744-12-1), with molecular formula C12H13FN4OS and molecular weight 280.08 g/mol. IUPAC: 4-(3-fluorophenyl)-3-morpholin-4-yl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(3-fluorophenyl)-5-(morpholin-4-yl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-(3-fluorophenyl)-5-(morpholin-4-yl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 1.90559 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-fluorophenyl)-5-(morpholin-4-yl)-4H-1,2,4-triazole-3-thiol. With a topological polar surface area (TPSA) of 46.08 Ų, 4-(3-fluorophenyl)-5-(morpholin-4-yl)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-fluorophenyl)-5-(morpholin-4-yl)-4H-1,2,4-triazole-3-thiol has 1 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 4-(3-fluorophenyl)-5-(morpholin-4-yl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-(3-fluorophenyl)-5-(morpholin-4-yl)-4H-1,2,4-triazole-3-thiol is 847744-12-1.
What is the molecular formula of 4-(3-fluorophenyl)-5-(morpholin-4-yl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-(3-fluorophenyl)-5-(morpholin-4-yl)-4H-1,2,4-triazole-3-thiol is C12H13FN4OS.
What is the molecular weight of 4-(3-fluorophenyl)-5-(morpholin-4-yl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-(3-fluorophenyl)-5-(morpholin-4-yl)-4H-1,2,4-triazole-3-thiol is 280.08 g/mol.
Where can I buy 4-(3-fluorophenyl)-5-(morpholin-4-yl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-(3-fluorophenyl)-5-(morpholin-4-yl)-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-(3-fluorophenyl)-5-(morpholin-4-yl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-fluorophenyl)-5-(morpholin-4-yl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.