2-(5-((4-Nitrobenzyl)thio)-1H-1,2,4-triazol-3-yl)phenol
TL;DR: 2-(5-((4-Nitrobenzyl)thio)-1H-1,2,4-triazol-3-yl)phenol (CAS 336180-49-5) is a chemical compound with molecular formula C15H12N4O3S and molecular weight 328.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[(4-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]phenol
Also Known As: 2-(5-((4-Nitrobenzyl)thio)-1H-1,2,4-triazol-3-yl)phenol, 6-[5-[(4-nitrophenyl)methylsulfanyl]-1,2-dihydro-1,2,4-triazol-3-ylidene]cyclohexa-2,4-dien-1-one, Phenol, 2-[5-[[(4-nitrophenyl)methyl]thio]-1H-1,2,4-triazol-3-yl]-
| Molecular Formula | C15H12N4O3S |
|---|---|
| Molecular Weight | 328.06 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 328.06302 |
| Heavy Atoms | 23 |
| Complexity | 401.0 |
Chemical Identifiers
| CAS Number | 336180-49-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=NC(=NN2)SCC3=CC=C(C=C3)[N+](=O)[O-])O |
| InChIKey | KMIIYKQCOKKASY-UHFFFAOYSA-N |
Product Overview
2-(5-((4-Nitrobenzyl)thio)-1H-1,2,4-triazol-3-yl)phenol (CAS 336180-49-5), with molecular formula C15H12N4O3S and molecular weight 328.06 g/mol. IUPAC: 2-[3-[(4-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]phenol.
Chemical Property Profile of 2-(5-((4-Nitrobenzyl)thio)-1H-1,2,4-triazol-3-yl)phenol
Property Insights of 2-(5-((4-Nitrobenzyl)thio)-1H-1,2,4-triazol-3-yl)phenol
The XLogP value of 3.5 indicates that 2-(5-((4-Nitrobenzyl)thio)-1H-1,2,4-triazol-3-yl)phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5-((4-Nitrobenzyl)thio)-1H-1,2,4-triazol-3-yl)phenol. Following Lipinski's Rule of Five, 2-(5-((4-Nitrobenzyl)thio)-1H-1,2,4-triazol-3-yl)phenol has 2 hydrogen bond donor(s) and 6 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-((4-Nitrobenzyl)thio)-1H-1,2,4-triazol-3-yl)phenol?
The CAS number of 2-(5-((4-Nitrobenzyl)thio)-1H-1,2,4-triazol-3-yl)phenol is 336180-49-5.
What is the molecular formula of 2-(5-((4-Nitrobenzyl)thio)-1H-1,2,4-triazol-3-yl)phenol?
The molecular formula of 2-(5-((4-Nitrobenzyl)thio)-1H-1,2,4-triazol-3-yl)phenol is C15H12N4O3S.
What is the molecular weight of 2-(5-((4-Nitrobenzyl)thio)-1H-1,2,4-triazol-3-yl)phenol?
The molecular weight of 2-(5-((4-Nitrobenzyl)thio)-1H-1,2,4-triazol-3-yl)phenol is 328.06 g/mol.
Where can I buy 2-(5-((4-Nitrobenzyl)thio)-1H-1,2,4-triazol-3-yl)phenol?
You can request a quote for 2-(5-((4-Nitrobenzyl)thio)-1H-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-((4-Nitrobenzyl)thio)-1H-1,2,4-triazol-3-yl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-((4-Nitrobenzyl)thio)-1H-1,2,4-triazol-3-yl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.