![4-Methyl-3-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole structure](/static/products/2558/255874-77-2.webp)
4-Methyl-3-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole
TL;DR: 4-Methyl-3-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole (CAS 255874-77-2) is a chemical compound with molecular formula C10H10N4O2S and molecular weight 250.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole
Also Known As: starbld0029343, 4-Methyl-3-((4-nitrobenzyl)thio)-4H-1,2,4-triazole, 4-Methyl-3-[[(4-nitrophenyl)methyl]thio]-4H-1,2,4-triazole, 4-methyl-3-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole, 4-methyl-3-[(4-nitrobenzyl)thio]-4H-1,2,4-triazole
| Molecular Formula | C10H10N4O2S |
|---|---|
| Molecular Weight | 250.05 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.05244 |
| Heavy Atoms | 17 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 255874-77-2 |
|---|---|
| SMILES | CN1C=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | DOIWZLMEHVEISF-UHFFFAOYSA-N |
Product Overview
4-Methyl-3-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole (CAS 255874-77-2), with molecular formula C10H10N4O2S and molecular weight 250.05 g/mol. IUPAC: 4-methyl-3-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole.
Chemical Property Profile of 4-Methyl-3-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole
Property Insights of 4-Methyl-3-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-3-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methyl-3-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole. Following Lipinski's Rule of Five, 4-Methyl-3-[(4-nitrophenyl)methylsulfanyl]-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 4-Methyl-3-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole?
The CAS number of 4-Methyl-3-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole is 255874-77-2.
What is the molecular formula of 4-Methyl-3-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole?
The molecular formula of 4-Methyl-3-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole is C10H10N4O2S.
What is the molecular weight of 4-Methyl-3-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole?
The molecular weight of 4-Methyl-3-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole is 250.05 g/mol.
Where can I buy 4-Methyl-3-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole?
You can request a quote for 4-Methyl-3-[(4-nitrophenyl)methylsulfanyl]-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 4-Methyl-3-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-3-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.