3-(2-nitrophenyl)-1H-1,2,4-triazole-5(4H)-thione
TL;DR: 3-(2-nitrophenyl)-1H-1,2,4-triazole-5(4H)-thione (CAS 6219-49-4) is a chemical compound with molecular formula C8H6N4O2S and molecular weight 222.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-nitrophenyl)-1,2-dihydro-1,2,4-triazole-3-thione
Also Known As: 5-(2-Nitrophenyl)-4H-1,2,4-triazole-3-thiol, 3-(2-nitrophenyl)-1h-1,2,4-triazole-5(4h)-thione, 5-(o-Nitrophenyl)-4H-1,2,4-triazole-3-thiol, 3-(o-nitrophenyl)-5-mercapto-4H-1,2,4-triazole, J2.995.534D
| Molecular Formula | C8H6N4O2S |
|---|---|
| Molecular Weight | 222.02 g/mol |
| LogP | 2.04249 |
| Topological Polar Surface Area | 87.61 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.02115 |
| Heavy Atoms | 15 |
| Complexity | 559.51935 |
Chemical Identifiers
| CAS Number | 6219-49-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=NC(=S)NN2)[N+](=O)[O-] |
Product Overview
3-(2-nitrophenyl)-1H-1,2,4-triazole-5(4H)-thione (CAS 6219-49-4), with molecular formula C8H6N4O2S and molecular weight 222.02 g/mol. IUPAC: 5-(2-nitrophenyl)-1,2-dihydro-1,2,4-triazole-3-thione.
Chemical Property Profile of 3-(2-nitrophenyl)-1H-1,2,4-triazole-5(4H)-thione
Property Insights of 3-(2-nitrophenyl)-1H-1,2,4-triazole-5(4H)-thione
The XLogP value of 2.04249 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-nitrophenyl)-1H-1,2,4-triazole-5(4H)-thione. The TPSA of 87.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-nitrophenyl)-1H-1,2,4-triazole-5(4H)-thione. Following Lipinski's Rule of Five, 3-(2-nitrophenyl)-1H-1,2,4-triazole-5(4H)-thione has 2 hydrogen bond donor(s) and 4 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 3-(2-nitrophenyl)-1H-1,2,4-triazole-5(4H)-thione?
The CAS number of 3-(2-nitrophenyl)-1H-1,2,4-triazole-5(4H)-thione is 6219-49-4.
What is the molecular formula of 3-(2-nitrophenyl)-1H-1,2,4-triazole-5(4H)-thione?
The molecular formula of 3-(2-nitrophenyl)-1H-1,2,4-triazole-5(4H)-thione is C8H6N4O2S.
What is the molecular weight of 3-(2-nitrophenyl)-1H-1,2,4-triazole-5(4H)-thione?
The molecular weight of 3-(2-nitrophenyl)-1H-1,2,4-triazole-5(4H)-thione is 222.02 g/mol.
Where can I buy 3-(2-nitrophenyl)-1H-1,2,4-triazole-5(4H)-thione?
You can request a quote for 3-(2-nitrophenyl)-1H-1,2,4-triazole-5(4H)-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-nitrophenyl)-1H-1,2,4-triazole-5(4H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-nitrophenyl)-1H-1,2,4-triazole-5(4H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.