4-(4-fluorophenyl)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione
TL;DR: 4-(4-fluorophenyl)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione (CAS 337472-33-0) is a chemical compound with molecular formula C12H8FN3S2 and molecular weight 277.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-fluorophenyl)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione
Also Known As: 4-(4-fluorophenyl)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione, 4-(4-fluorophenyl)-3-(2-thienyl)-1,2,4-triazoline-5-thione, 4-(4-fluorophenyl)-3-(thiophen-2-yl)-1H-1,2,4-triazole-5(4H)-thione, 4-(4-FLUOROPHENYL)-5-(THIOPHEN-2-YL)-2H-1,2,4-TRIAZOLE-3-THIONE, 4-(4-fluorophenyl)-3-(2-thienyl)-4,5-dihydro-1h-1,2,4-triazole-5-thione
| Molecular Formula | C12H8FN3S2 |
|---|---|
| Molecular Weight | 277.01 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 88.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 277.01437 |
| Heavy Atoms | 18 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 337472-33-0 |
|---|---|
| SMILES | C1=CSC(=C1)C2=NNC(=S)N2C3=CC=C(C=C3)F |
| InChIKey | WOLUCGJXYDLXGP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(4-fluorophenyl)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione (CAS 337472-33-0), with molecular formula C12H8FN3S2 and molecular weight 277.01 g/mol. IUPAC: 4-(4-fluorophenyl)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(4-fluorophenyl)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione
Property Insights of 4-(4-fluorophenyl)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione
The XLogP value of 3.3 indicates that 4-(4-fluorophenyl)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-fluorophenyl)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione. Following Lipinski's Rule of Five, 4-(4-fluorophenyl)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione 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-(4-fluorophenyl)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione?
The CAS number of 4-(4-fluorophenyl)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione is 337472-33-0.
What is the molecular formula of 4-(4-fluorophenyl)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione?
The molecular formula of 4-(4-fluorophenyl)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione is C12H8FN3S2.
What is the molecular weight of 4-(4-fluorophenyl)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione?
The molecular weight of 4-(4-fluorophenyl)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione is 277.01 g/mol.
Where can I buy 4-(4-fluorophenyl)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione?
You can request a quote for 4-(4-fluorophenyl)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-fluorophenyl)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-fluorophenyl)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.