5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol (CAS 68744-68-3) is a chemical compound with molecular formula C6H5N3S2 and molecular weight 182.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-thiophen-2-yl-1,2-dihydro-1,2,4-triazole-3-thione
Also Known As: 5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol, 5-Thiophen-2-yl-4H-[1,2,4]triazole-3-thiol, 5-(2-thienyl)-4H-1,2,4-triazole-3-thiol, 5-thiophen-2-yl-1,2-dihydro-1,2,4-triazole-3-thione, J3.108.737F
| Molecular Formula | C6H5N3S2 |
|---|---|
| Molecular Weight | 182.99 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 96.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 182.9925 |
| Heavy Atoms | 11 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 68744-68-3 |
|---|---|
| SMILES | C1=CSC(=C1)C2=NC(=S)NN2 |
| InChIKey | XTBUTLWCIJDTLU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol (CAS 68744-68-3), with molecular formula C6H5N3S2 and molecular weight 182.99 g/mol. IUPAC: 5-thiophen-2-yl-1,2-dihydro-1,2,4-triazole-3-thione.
Chemical Property Profile of 5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol. The TPSA of 96.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol has 2 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 5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol is 68744-68-3.
What is the molecular formula of 5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol is C6H5N3S2.
What is the molecular weight of 5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol is 182.99 g/mol.
Where can I buy 5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(thiophen-2-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 5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.