4-(4-Ethyl-5-sulfanyl-1,2,4-triazol-3-yl)phenol
TL;DR: 4-(4-Ethyl-5-sulfanyl-1,2,4-triazol-3-yl)phenol (CAS 26028-81-9) is a chemical compound with molecular formula C10H11N3OS and molecular weight 221.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethyl-3-(4-hydroxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: BAS 02070191, 4-(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)phenol, AF-615/36960025, 4-(4-ethyl-5-sulfanyl-1,2,4-triazol-3-yl)phenol, 4-(4-Ethyl-5-mercapto-4H-[1,2,4]triazol-3-yl)-phenol
| Molecular Formula | C10H11N3OS |
|---|---|
| Molecular Weight | 221.06 g/mol |
| LogP | 2.33319 |
| Topological Polar Surface Area | 53.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.06229 |
| Heavy Atoms | 15 |
| Complexity | 512.2089 |
Chemical Identifiers
| CAS Number | 26028-81-9 |
|---|---|
| SMILES | CCN1C(=NNC1=S)C2=CC=C(C=C2)O |
Product Overview
4-(4-Ethyl-5-sulfanyl-1,2,4-triazol-3-yl)phenol (CAS 26028-81-9), with molecular formula C10H11N3OS and molecular weight 221.06 g/mol. IUPAC: 4-ethyl-3-(4-hydroxyphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(4-Ethyl-5-sulfanyl-1,2,4-triazol-3-yl)phenol
Property Insights of 4-(4-Ethyl-5-sulfanyl-1,2,4-triazol-3-yl)phenol
The XLogP value of 2.33319 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Ethyl-5-sulfanyl-1,2,4-triazol-3-yl)phenol. With a topological polar surface area (TPSA) of 53.84 Ų, 4-(4-Ethyl-5-sulfanyl-1,2,4-triazol-3-yl)phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Ethyl-5-sulfanyl-1,2,4-triazol-3-yl)phenol has 2 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-(4-Ethyl-5-sulfanyl-1,2,4-triazol-3-yl)phenol?
The CAS number of 4-(4-Ethyl-5-sulfanyl-1,2,4-triazol-3-yl)phenol is 26028-81-9.
What is the molecular formula of 4-(4-Ethyl-5-sulfanyl-1,2,4-triazol-3-yl)phenol?
The molecular formula of 4-(4-Ethyl-5-sulfanyl-1,2,4-triazol-3-yl)phenol is C10H11N3OS.
What is the molecular weight of 4-(4-Ethyl-5-sulfanyl-1,2,4-triazol-3-yl)phenol?
The molecular weight of 4-(4-Ethyl-5-sulfanyl-1,2,4-triazol-3-yl)phenol is 221.06 g/mol.
Where can I buy 4-(4-Ethyl-5-sulfanyl-1,2,4-triazol-3-yl)phenol?
You can request a quote for 4-(4-Ethyl-5-sulfanyl-1,2,4-triazol-3-yl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Ethyl-5-sulfanyl-1,2,4-triazol-3-yl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Ethyl-5-sulfanyl-1,2,4-triazol-3-yl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.