3-({4-nitrophenyl}sulfanyl)-4-methyl-4H-1,2,4-triazole
TL;DR: 3-({4-nitrophenyl}sulfanyl)-4-methyl-4H-1,2,4-triazole (CAS 333439-07-9) is a chemical compound with molecular formula C9H8N4O2S and molecular weight 236.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3-(4-nitrophenyl)sulfanyl-1,2,4-triazole
Also Known As: 3-({4-nitrophenyl}sulfanyl)-4-methyl-4H-1,2,4-triazole, 4-methyl-3-(4-nitrophenyl)sulfanyl-1,2,4-triazole, 4-methyl-3-[(4-nitrophenyl)thio]-1,2,4-triazole
| Molecular Formula | C9H8N4O2S |
|---|---|
| Molecular Weight | 236.04 g/mol |
| LogP | 1.8745 |
| Topological Polar Surface Area | 73.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.0368 |
| Heavy Atoms | 16 |
| Complexity | 508.48245 |
Chemical Identifiers
| CAS Number | 333439-07-9 |
|---|---|
| SMILES | CN1C=NN=C1SC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
3-({4-nitrophenyl}sulfanyl)-4-methyl-4H-1,2,4-triazole (CAS 333439-07-9), with molecular formula C9H8N4O2S and molecular weight 236.04 g/mol. IUPAC: 4-methyl-3-(4-nitrophenyl)sulfanyl-1,2,4-triazole.
Chemical Property Profile of 3-({4-nitrophenyl}sulfanyl)-4-methyl-4H-1,2,4-triazole
Property Insights of 3-({4-nitrophenyl}sulfanyl)-4-methyl-4H-1,2,4-triazole
The XLogP value of 1.8745 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-({4-nitrophenyl}sulfanyl)-4-methyl-4H-1,2,4-triazole. The TPSA of 73.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-({4-nitrophenyl}sulfanyl)-4-methyl-4H-1,2,4-triazole. Following Lipinski's Rule of Five, 3-({4-nitrophenyl}sulfanyl)-4-methyl-4H-1,2,4-triazole has 0 hydrogen bond donor(s) and 5 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-({4-nitrophenyl}sulfanyl)-4-methyl-4H-1,2,4-triazole?
The CAS number of 3-({4-nitrophenyl}sulfanyl)-4-methyl-4H-1,2,4-triazole is 333439-07-9.
What is the molecular formula of 3-({4-nitrophenyl}sulfanyl)-4-methyl-4H-1,2,4-triazole?
The molecular formula of 3-({4-nitrophenyl}sulfanyl)-4-methyl-4H-1,2,4-triazole is C9H8N4O2S.
What is the molecular weight of 3-({4-nitrophenyl}sulfanyl)-4-methyl-4H-1,2,4-triazole?
The molecular weight of 3-({4-nitrophenyl}sulfanyl)-4-methyl-4H-1,2,4-triazole is 236.04 g/mol.
Where can I buy 3-({4-nitrophenyl}sulfanyl)-4-methyl-4H-1,2,4-triazole?
You can request a quote for 3-({4-nitrophenyl}sulfanyl)-4-methyl-4H-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-({4-nitrophenyl}sulfanyl)-4-methyl-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-({4-nitrophenyl}sulfanyl)-4-methyl-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.