5-ethyl-4-phenyl-4H-1,2,4-triazole-3-thiol
TL;DR: 5-ethyl-4-phenyl-4H-1,2,4-triazole-3-thiol (CAS 29448-76-8) is a chemical compound with molecular formula C10H11N3S and molecular weight 205.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-4-phenyl-1H-1,2,4-triazole-5-thione
Also Known As: 5-ethyl-4-phenyl-4H-1,2,4-triazole-3-thiol, 3-ethyl-4-phenyl-1H-1,2,4-triazole-5-thione, 5-ethyl-4-phenyl-1,2,4-triazole-3-thiol, 3-Mercapto-4-phenyl-5-ethyl-1,2,4-triazole, 3H-1,2,4-Triazole-3-thione, 5-ethyl-2,4-dihydro-4-phenyl-
| Molecular Formula | C10H11N3S |
|---|---|
| Molecular Weight | 205.07 g/mol |
| LogP | 2.49229 |
| Topological Polar Surface Area | 33.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 205.06737 |
| Heavy Atoms | 14 |
| Complexity | 469.61237 |
Chemical Identifiers
| CAS Number | 29448-76-8 |
|---|---|
| SMILES | CCC1=NNC(=S)N1C2=CC=CC=C2 |
Product Overview
5-ethyl-4-phenyl-4H-1,2,4-triazole-3-thiol (CAS 29448-76-8), with molecular formula C10H11N3S and molecular weight 205.07 g/mol. IUPAC: 3-ethyl-4-phenyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-ethyl-4-phenyl-4H-1,2,4-triazole-3-thiol
Property Insights of 5-ethyl-4-phenyl-4H-1,2,4-triazole-3-thiol
The XLogP value of 2.49229 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-ethyl-4-phenyl-4H-1,2,4-triazole-3-thiol. With a topological polar surface area (TPSA) of 33.61 Ų, 5-ethyl-4-phenyl-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-ethyl-4-phenyl-4H-1,2,4-triazole-3-thiol has 1 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-ethyl-4-phenyl-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-ethyl-4-phenyl-4H-1,2,4-triazole-3-thiol is 29448-76-8.
What is the molecular formula of 5-ethyl-4-phenyl-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-ethyl-4-phenyl-4H-1,2,4-triazole-3-thiol is C10H11N3S.
What is the molecular weight of 5-ethyl-4-phenyl-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-ethyl-4-phenyl-4H-1,2,4-triazole-3-thiol is 205.07 g/mol.
Where can I buy 5-ethyl-4-phenyl-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-ethyl-4-phenyl-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-ethyl-4-phenyl-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-ethyl-4-phenyl-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.