2-(5-sulfanyl-4H-1,2,4-triazol-3-yl)phenol
TL;DR: 2-(5-sulfanyl-4H-1,2,4-triazol-3-yl)phenol (CAS 37536-29-1) is a chemical compound with molecular formula C8H7N3OS and molecular weight 193.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-hydroxyphenyl)-1,2-dihydro-1,2,4-triazole-3-thione
Also Known As: 2-(5-sulfanyl-4H-1,2,4-triazol-3-yl)phenol, 2-(5-mercapto-4H-1,2,4-triazol-3-yl)phenol, 2-(5-Mercapto-4H-[1,2,4]triazol-3-yl)-phenol, BAS 00609206, 5-(2-hydroxyphenyl)-1,2-dihydro-1,2,4-triazole-3-thione
| Molecular Formula | C8H7N3OS |
|---|---|
| Molecular Weight | 193.03 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 88.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 193.03099 |
| Heavy Atoms | 13 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 37536-29-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=NC(=S)NN2)O |
| InChIKey | CCAJTTYNVNCKDV-UHFFFAOYSA-N |
Product Overview
2-(5-sulfanyl-4H-1,2,4-triazol-3-yl)phenol (CAS 37536-29-1), with molecular formula C8H7N3OS and molecular weight 193.03 g/mol. IUPAC: 5-(2-hydroxyphenyl)-1,2-dihydro-1,2,4-triazole-3-thione.
Chemical Property Profile of 2-(5-sulfanyl-4H-1,2,4-triazol-3-yl)phenol
Property Insights of 2-(5-sulfanyl-4H-1,2,4-triazol-3-yl)phenol
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(5-sulfanyl-4H-1,2,4-triazol-3-yl)phenol. The TPSA of 88.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5-sulfanyl-4H-1,2,4-triazol-3-yl)phenol. Following Lipinski's Rule of Five, 2-(5-sulfanyl-4H-1,2,4-triazol-3-yl)phenol has 3 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 2-(5-sulfanyl-4H-1,2,4-triazol-3-yl)phenol?
The CAS number of 2-(5-sulfanyl-4H-1,2,4-triazol-3-yl)phenol is 37536-29-1.
What is the molecular formula of 2-(5-sulfanyl-4H-1,2,4-triazol-3-yl)phenol?
The molecular formula of 2-(5-sulfanyl-4H-1,2,4-triazol-3-yl)phenol is C8H7N3OS.
What is the molecular weight of 2-(5-sulfanyl-4H-1,2,4-triazol-3-yl)phenol?
The molecular weight of 2-(5-sulfanyl-4H-1,2,4-triazol-3-yl)phenol is 193.03 g/mol.
Where can I buy 2-(5-sulfanyl-4H-1,2,4-triazol-3-yl)phenol?
You can request a quote for 2-(5-sulfanyl-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 2-(5-sulfanyl-4H-1,2,4-triazol-3-yl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-sulfanyl-4H-1,2,4-triazol-3-yl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.