4-benzyl-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-benzyl-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol (CAS 139614-67-8) is a chemical compound with molecular formula C13H11N3S2 and molecular weight 273.03943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-benzyl-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione
Also Known As: 4-benzyl-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol, 4-BENZYL-5-(2-THIENYL)-1,2,4-TRIAZOLE-3-THIOL, 4-benzyl-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione, 4-Benzyl-5-thiophen-2-yl-4H-[1,2,4]triazole-3-thiol, AB00590714-02
Technical Specifications
| Molecular Formula | C13H11N3S2 |
| Molecular Weight | 273.03943 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 88.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 273.03943 Da |
| Heavy Atoms | 18 |
| Complexity | 350.0 |
| SMILES | C1=CC=C(C=C1)CN2C(=NNC2=S)C3=CC=CS3 |
| InChIKey | KRFZPLJZACBNAG-UHFFFAOYSA-N |
Chemical Property Profile of 4-benzyl-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-benzyl-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.1 indicates that 4-benzyl-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol 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-benzyl-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 4-benzyl-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-benzyl-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-benzyl-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol is 139614-67-8.
What is the molecular formula of 4-benzyl-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-benzyl-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol is C13H11N3S2.
What is the molecular weight of 4-benzyl-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-benzyl-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol is 273.03943 g/mol.
Where can I buy 4-benzyl-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-benzyl-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-benzyl-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol?
Yes, CoreyChem provides custom synthesis services for 4-benzyl-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.