![1-methyl-3-nitro-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-triazole structure](/static/products/7019/701941-08-4.webp)
1-methyl-3-nitro-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-triazole
TL;DR: 1-methyl-3-nitro-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-triazole (CAS 701941-08-4) is a chemical compound with molecular formula C11H9N7O2S and molecular weight 303.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-3-nitro-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-triazole
Also Known As: BAS 08205841, 1-methyl-3-nitro-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-triazole, 1-methyl-3-nitro-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1H-1,2,4-triazole, 1-methyl-3-nitro-5-((5-phenyl-1H-1,2,4-triazol-3-yl)thio)-1H-1,2,4-triazole, 1-Methyl-3-nitro-5-(5-phenyl-1H-[1,2,4]triazol-3-ylsulfanyl)-1H-[1,2,4]triazole
| Molecular Formula | C11H9N7O2S |
|---|---|
| Molecular Weight | 303.05 g/mol |
| LogP | 1.6596 |
| Topological Polar Surface Area | 115.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 303.05383 |
| Heavy Atoms | 21 |
| Complexity | 782.983 |
Chemical Identifiers
| CAS Number | 701941-08-4 |
|---|---|
| SMILES | CN1C(=NC(=N1)[N+](=O)[O-])SC2=NNC(=N2)C3=CC=CC=C3 |
Product Overview
1-methyl-3-nitro-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-triazole (CAS 701941-08-4), with molecular formula C11H9N7O2S and molecular weight 303.05 g/mol. IUPAC: 1-methyl-3-nitro-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-triazole.
Chemical Property Profile of 1-methyl-3-nitro-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-triazole
Property Insights of 1-methyl-3-nitro-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-triazole
The XLogP value of 1.6596 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-methyl-3-nitro-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-triazole. The TPSA of 115.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-methyl-3-nitro-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-triazole. Following Lipinski's Rule of Five, 1-methyl-3-nitro-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-triazole has 1 hydrogen bond donor(s) and 7 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 1-methyl-3-nitro-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-triazole?
The CAS number of 1-methyl-3-nitro-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-triazole is 701941-08-4.
What is the molecular formula of 1-methyl-3-nitro-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-triazole?
The molecular formula of 1-methyl-3-nitro-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-triazole is C11H9N7O2S.
What is the molecular weight of 1-methyl-3-nitro-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-triazole?
The molecular weight of 1-methyl-3-nitro-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-triazole is 303.05 g/mol.
Where can I buy 1-methyl-3-nitro-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-triazole?
You can request a quote for 1-methyl-3-nitro-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-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 1-methyl-3-nitro-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 1-methyl-3-nitro-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.