4-phenyl-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione
TL;DR: 4-phenyl-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione (CAS 384806-50-2) is a chemical compound with molecular formula C13H11N3S2 and molecular weight 273.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenyl-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-phenyl-5-(thien-2-ylmethyl)-4H-1,2,4-triazole-3-thiol, 4-Phenyl-5-(2-thienylmethyl)-4H-1,2,4-triazole-3-thiol, 4-phenyl-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione, 4-phenyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole-3-thiol, BAS 07323719
| Molecular Formula | C13H11N3S2 |
|---|---|
| Molecular Weight | 273.04 g/mol |
| LogP | 3.58219 |
| Topological Polar Surface Area | 33.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 273.03943 |
| Heavy Atoms | 18 |
| Complexity | 680.612 |
Chemical Identifiers
| CAS Number | 384806-50-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NNC2=S)CC3=CC=CS3 |
Product Overview
4-phenyl-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione (CAS 384806-50-2), with molecular formula C13H11N3S2 and molecular weight 273.04 g/mol. IUPAC: 4-phenyl-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-phenyl-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione
Property Insights of 4-phenyl-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione
The XLogP value of 3.58219 indicates that 4-phenyl-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.61 Ų, 4-phenyl-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-phenyl-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione 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
Frequently Asked Questions
What is the CAS number of 4-phenyl-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione?
The CAS number of 4-phenyl-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione is 384806-50-2.
What is the molecular formula of 4-phenyl-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione?
The molecular formula of 4-phenyl-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione is C13H11N3S2.
What is the molecular weight of 4-phenyl-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione?
The molecular weight of 4-phenyl-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione is 273.04 g/mol.
Where can I buy 4-phenyl-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione?
You can request a quote for 4-phenyl-3-(thiophen-2-ylmethyl)-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-phenyl-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-phenyl-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.