![5-[(2-Methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylphenyl)tetrazole structure](/static/products/7082/708249-68-7.webp)
5-[(2-Methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylphenyl)tetrazole
TL;DR: 5-[(2-Methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylphenyl)tetrazole (CAS 708249-68-7) is a chemical compound with molecular formula C11H10N8O2S and molecular weight 318.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylphenyl)tetrazole
Also Known As: 5-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylphenyl)tetrazole, 5-((1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)thio)-1-(p-tolyl)-1H-tetrazole, 5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-1-(4-methylphenyl)-1H-tetrazole, 5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)thio]-1-(4-methylphenyl)-1H-tetrazole
| Molecular Formula | C11H10N8O2S |
|---|---|
| Molecular Weight | 318.06 g/mol |
| LogP | 1.15862 |
| Topological Polar Surface Area | 117.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 318.06473 |
| Heavy Atoms | 22 |
| Complexity | 824.99207 |
Chemical Identifiers
| CAS Number | 708249-68-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=N2)SC3=NC(=NN3C)[N+](=O)[O-] |
Product Overview
5-[(2-Methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylphenyl)tetrazole (CAS 708249-68-7), with molecular formula C11H10N8O2S and molecular weight 318.06 g/mol. IUPAC: 5-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylphenyl)tetrazole.
Chemical Property Profile of 5-[(2-Methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylphenyl)tetrazole
Property Insights of 5-[(2-Methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylphenyl)tetrazole
The XLogP value of 1.15862 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(2-Methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylphenyl)tetrazole. The TPSA of 117.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(2-Methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylphenyl)tetrazole. Following Lipinski's Rule of Five, 5-[(2-Methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylphenyl)tetrazole has 0 hydrogen bond donor(s) and 8 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 5-[(2-Methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylphenyl)tetrazole?
The CAS number of 5-[(2-Methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylphenyl)tetrazole is 708249-68-7.
What is the molecular formula of 5-[(2-Methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylphenyl)tetrazole?
The molecular formula of 5-[(2-Methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylphenyl)tetrazole is C11H10N8O2S.
What is the molecular weight of 5-[(2-Methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylphenyl)tetrazole?
The molecular weight of 5-[(2-Methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylphenyl)tetrazole is 318.06 g/mol.
Where can I buy 5-[(2-Methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylphenyl)tetrazole?
You can request a quote for 5-[(2-Methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylphenyl)tetrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(2-Methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylphenyl)tetrazole?
Yes, KEHONG BIO provides custom synthesis services for 5-[(2-Methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylphenyl)tetrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.