1-Methyl-5-(4-methylphenyl)sulfanyl-3-nitro-1,2,4-triazole
TL;DR: 1-Methyl-5-(4-methylphenyl)sulfanyl-3-nitro-1,2,4-triazole (CAS 692275-86-8) 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.
1-methyl-5-(4-methylphenyl)sulfanyl-3-nitro-1,2,4-triazole
Also Known As: 1-methyl-5-(4-methylphenyl)sulfanyl-3-nitro-1,2,4-triazole, 1-methyl-3-nitro-5-(p-tolylthio)-1H-1,2,4-triazole, 1-methyl-5-[(4-methylphenyl)sulfanyl]-3-nitro-1H-1,2,4-triazole, 1-methyl-5-[(4-methylphenyl)thio]-3-nitro-1H-1,2,4-triazole
| Molecular Formula | C10H10N4O2S |
|---|---|
| Molecular Weight | 250.05 g/mol |
| LogP | 2.18292 |
| Topological Polar Surface Area | 73.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.05244 |
| Heavy Atoms | 17 |
| Complexity | 549.9336 |
Chemical Identifiers
| CAS Number | 692275-86-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=NC(=NN2C)[N+](=O)[O-] |
Product Overview
1-Methyl-5-(4-methylphenyl)sulfanyl-3-nitro-1,2,4-triazole (CAS 692275-86-8), with molecular formula C10H10N4O2S and molecular weight 250.05 g/mol. IUPAC: 1-methyl-5-(4-methylphenyl)sulfanyl-3-nitro-1,2,4-triazole.
Chemical Property Profile of 1-Methyl-5-(4-methylphenyl)sulfanyl-3-nitro-1,2,4-triazole
Property Insights of 1-Methyl-5-(4-methylphenyl)sulfanyl-3-nitro-1,2,4-triazole
The XLogP value of 2.18292 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-5-(4-methylphenyl)sulfanyl-3-nitro-1,2,4-triazole. The TPSA of 73.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-5-(4-methylphenyl)sulfanyl-3-nitro-1,2,4-triazole. Following Lipinski's Rule of Five, 1-Methyl-5-(4-methylphenyl)sulfanyl-3-nitro-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 1-Methyl-5-(4-methylphenyl)sulfanyl-3-nitro-1,2,4-triazole?
The CAS number of 1-Methyl-5-(4-methylphenyl)sulfanyl-3-nitro-1,2,4-triazole is 692275-86-8.
What is the molecular formula of 1-Methyl-5-(4-methylphenyl)sulfanyl-3-nitro-1,2,4-triazole?
The molecular formula of 1-Methyl-5-(4-methylphenyl)sulfanyl-3-nitro-1,2,4-triazole is C10H10N4O2S.
What is the molecular weight of 1-Methyl-5-(4-methylphenyl)sulfanyl-3-nitro-1,2,4-triazole?
The molecular weight of 1-Methyl-5-(4-methylphenyl)sulfanyl-3-nitro-1,2,4-triazole is 250.05 g/mol.
Where can I buy 1-Methyl-5-(4-methylphenyl)sulfanyl-3-nitro-1,2,4-triazole?
You can request a quote for 1-Methyl-5-(4-methylphenyl)sulfanyl-3-nitro-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-5-(4-methylphenyl)sulfanyl-3-nitro-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-5-(4-methylphenyl)sulfanyl-3-nitro-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.