4-chloro-2-(5-mercapto-4-methyl-4H-1,2,4-triazol-3-yl)phenol
TL;DR: 4-chloro-2-(5-mercapto-4-methyl-4H-1,2,4-triazol-3-yl)phenol (CAS 273216-76-5) is a chemical compound with molecular formula C9H8ClN3OS and molecular weight 241.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-chloro-2-hydroxyphenyl)-4-methyl-1H-1,2,4-triazole-5-thione
Also Known As: 4-chloro-2-(5-mercapto-4-methyl-4H-1,2,4-triazol-3-yl)phenol, BAS 04246148, 4-chloro-2-(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)phenol, 3-(5-chloro-2-hydroxyphenyl)-4-methyl-1H-1,2,4-triazole-5-thione, A2407/0102011
| Molecular Formula | C9H8ClN3OS |
|---|---|
| Molecular Weight | 241.01 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 80.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 241.00766 |
| Heavy Atoms | 15 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 273216-76-5 |
|---|---|
| SMILES | CN1C(=NNC1=S)C2=C(C=CC(=C2)Cl)O |
| InChIKey | HMHGWLRIAHNQAQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-chloro-2-(5-mercapto-4-methyl-4H-1,2,4-triazol-3-yl)phenol (CAS 273216-76-5), with molecular formula C9H8ClN3OS and molecular weight 241.01 g/mol. IUPAC: 3-(5-chloro-2-hydroxyphenyl)-4-methyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-chloro-2-(5-mercapto-4-methyl-4H-1,2,4-triazol-3-yl)phenol
Property Insights of 4-chloro-2-(5-mercapto-4-methyl-4H-1,2,4-triazol-3-yl)phenol
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-chloro-2-(5-mercapto-4-methyl-4H-1,2,4-triazol-3-yl)phenol. The TPSA of 80.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-chloro-2-(5-mercapto-4-methyl-4H-1,2,4-triazol-3-yl)phenol. Following Lipinski's Rule of Five, 4-chloro-2-(5-mercapto-4-methyl-4H-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-chloro-2-(5-mercapto-4-methyl-4H-1,2,4-triazol-3-yl)phenol?
The CAS number of 4-chloro-2-(5-mercapto-4-methyl-4H-1,2,4-triazol-3-yl)phenol is 273216-76-5.
What is the molecular formula of 4-chloro-2-(5-mercapto-4-methyl-4H-1,2,4-triazol-3-yl)phenol?
The molecular formula of 4-chloro-2-(5-mercapto-4-methyl-4H-1,2,4-triazol-3-yl)phenol is C9H8ClN3OS.
What is the molecular weight of 4-chloro-2-(5-mercapto-4-methyl-4H-1,2,4-triazol-3-yl)phenol?
The molecular weight of 4-chloro-2-(5-mercapto-4-methyl-4H-1,2,4-triazol-3-yl)phenol is 241.01 g/mol.
Where can I buy 4-chloro-2-(5-mercapto-4-methyl-4H-1,2,4-triazol-3-yl)phenol?
You can request a quote for 4-chloro-2-(5-mercapto-4-methyl-4H-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-chloro-2-(5-mercapto-4-methyl-4H-1,2,4-triazol-3-yl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-2-(5-mercapto-4-methyl-4H-1,2,4-triazol-3-yl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.