![2-Methyl-5-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-1,3,4-thiadiazole structure](/static/products/6972/697246-04-1.webp)
2-Methyl-5-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-1,3,4-thiadiazole
TL;DR: 2-Methyl-5-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-1,3,4-thiadiazole (CAS 697246-04-1) is a chemical compound with molecular formula C6H6N6O2S2 and molecular weight 258.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-5-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-1,3,4-thiadiazole
Also Known As: BAS 08317183, 2-methyl-5-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-1,3,4-thiadiazole, AP-853/42402891, 2-Methyl-5-(2-methyl-5-nitro-2H-[1,2,4]triazol-3-ylsulfanyl)-[1,3,4]thiadiazole, A3658/0155078
| Molecular Formula | C6H6N6O2S2 |
|---|---|
| Molecular Weight | 258.00 g/mol |
| LogP | 1.03442 |
| Topological Polar Surface Area | 99.63 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 257.99936 |
| Heavy Atoms | 16 |
| Complexity | 534.8612 |
Chemical Identifiers
| CAS Number | 697246-04-1 |
|---|---|
| SMILES | CC1=NN=C(S1)SC2=NC(=NN2C)[N+](=O)[O-] |
Product Overview
2-Methyl-5-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-1,3,4-thiadiazole (CAS 697246-04-1), with molecular formula C6H6N6O2S2 and molecular weight 258.00 g/mol. IUPAC: 2-methyl-5-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-1,3,4-thiadiazole.
Chemical Property Profile of 2-Methyl-5-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-1,3,4-thiadiazole
Property Insights of 2-Methyl-5-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-1,3,4-thiadiazole
The XLogP value of 1.03442 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-5-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-1,3,4-thiadiazole. The TPSA of 99.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-5-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-1,3,4-thiadiazole. Following Lipinski's Rule of Five, 2-Methyl-5-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-1,3,4-thiadiazole 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 2-Methyl-5-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-1,3,4-thiadiazole?
The CAS number of 2-Methyl-5-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-1,3,4-thiadiazole is 697246-04-1.
What is the molecular formula of 2-Methyl-5-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-1,3,4-thiadiazole?
The molecular formula of 2-Methyl-5-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-1,3,4-thiadiazole is C6H6N6O2S2.
What is the molecular weight of 2-Methyl-5-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-1,3,4-thiadiazole?
The molecular weight of 2-Methyl-5-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-1,3,4-thiadiazole is 258.00 g/mol.
Where can I buy 2-Methyl-5-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-1,3,4-thiadiazole?
You can request a quote for 2-Methyl-5-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-1,3,4-thiadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-5-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-1,3,4-thiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-5-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-1,3,4-thiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.