3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-methyl-5-(5-nitro-2-furanyl)-
TL;DR: 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-methyl-5-(5-nitro-2-furanyl)- (CAS 61323-58-8) is a chemical compound with molecular formula C7H6N4O3S and molecular weight 226.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3-(5-nitrofuran-2-yl)-1H-1,2,4-triazole-5-thione
Also Known As: Maybridge1_000653, 4-methyl-3-(5-nitrofuran-2-yl)-1H-1,2,4-triazole-5-thione, 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-methyl-5-(5-nitro-2-furanyl)-, 4-Methyl-5-(5-nitrofuran-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C7H6N4O3S |
|---|---|
| Molecular Weight | 226.02 g/mol |
| LogP | 1.64589 |
| Topological Polar Surface Area | 89.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.01607 |
| Heavy Atoms | 15 |
| Complexity | 566.7974 |
Chemical Identifiers
| CAS Number | 61323-58-8 |
|---|---|
| SMILES | CN1C(=NNC1=S)C2=CC=C(O2)[N+](=O)[O-] |
Product Overview
3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-methyl-5-(5-nitro-2-furanyl)- (CAS 61323-58-8), with molecular formula C7H6N4O3S and molecular weight 226.02 g/mol. IUPAC: 4-methyl-3-(5-nitrofuran-2-yl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-methyl-5-(5-nitro-2-furanyl)-
Property Insights of 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-methyl-5-(5-nitro-2-furanyl)-
The XLogP value of 1.64589 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-methyl-5-(5-nitro-2-furanyl)-. The TPSA of 89.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-methyl-5-(5-nitro-2-furanyl)-. Following Lipinski's Rule of Five, 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-methyl-5-(5-nitro-2-furanyl)- has 1 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 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-methyl-5-(5-nitro-2-furanyl)-?
The CAS number of 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-methyl-5-(5-nitro-2-furanyl)- is 61323-58-8.
What is the molecular formula of 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-methyl-5-(5-nitro-2-furanyl)-?
The molecular formula of 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-methyl-5-(5-nitro-2-furanyl)- is C7H6N4O3S.
What is the molecular weight of 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-methyl-5-(5-nitro-2-furanyl)-?
The molecular weight of 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-methyl-5-(5-nitro-2-furanyl)- is 226.02 g/mol.
Where can I buy 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-methyl-5-(5-nitro-2-furanyl)-?
You can request a quote for 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-methyl-5-(5-nitro-2-furanyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-methyl-5-(5-nitro-2-furanyl)-?
Yes, KEHONG BIO provides custom synthesis services for 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-methyl-5-(5-nitro-2-furanyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.