2-(3-nitro-1H-1,2,4-triazol-1-yl)-1,3,4-thiadiazole
TL;DR: 2-(3-nitro-1H-1,2,4-triazol-1-yl)-1,3,4-thiadiazole (CAS 674352-29-5) is a chemical compound with molecular formula C4H2N6O2S and molecular weight 198.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-nitro-1,2,4-triazol-1-yl)-1,3,4-thiadiazole
Also Known As: 2-(3-nitro-1H-1,2,4-triazol-1-yl)-1,3,4-thiadiazole, 2-(3-nitro-1,2,4-triazol-1-yl)-1,3,4-thiadiazole
| Molecular Formula | C4H2N6O2S |
|---|---|
| Molecular Weight | 198.00 g/mol |
| LogP | 0.027 |
| Topological Polar Surface Area | 99.63 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 197.99599 |
| Heavy Atoms | 13 |
| Complexity | 421.53595 |
Chemical Identifiers
| CAS Number | 674352-29-5 |
|---|---|
| SMILES | C1=NC(=NN1C2=NN=CS2)[N+](=O)[O-] |
Product Overview
2-(3-nitro-1H-1,2,4-triazol-1-yl)-1,3,4-thiadiazole (CAS 674352-29-5), with molecular formula C4H2N6O2S and molecular weight 198.00 g/mol. IUPAC: 2-(3-nitro-1,2,4-triazol-1-yl)-1,3,4-thiadiazole.
Chemical Property Profile of 2-(3-nitro-1H-1,2,4-triazol-1-yl)-1,3,4-thiadiazole
Property Insights of 2-(3-nitro-1H-1,2,4-triazol-1-yl)-1,3,4-thiadiazole
The XLogP value of 0.027 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-nitro-1H-1,2,4-triazol-1-yl)-1,3,4-thiadiazole. The TPSA of 99.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-nitro-1H-1,2,4-triazol-1-yl)-1,3,4-thiadiazole. Following Lipinski's Rule of Five, 2-(3-nitro-1H-1,2,4-triazol-1-yl)-1,3,4-thiadiazole has 0 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 2-(3-nitro-1H-1,2,4-triazol-1-yl)-1,3,4-thiadiazole?
The CAS number of 2-(3-nitro-1H-1,2,4-triazol-1-yl)-1,3,4-thiadiazole is 674352-29-5.
What is the molecular formula of 2-(3-nitro-1H-1,2,4-triazol-1-yl)-1,3,4-thiadiazole?
The molecular formula of 2-(3-nitro-1H-1,2,4-triazol-1-yl)-1,3,4-thiadiazole is C4H2N6O2S.
What is the molecular weight of 2-(3-nitro-1H-1,2,4-triazol-1-yl)-1,3,4-thiadiazole?
The molecular weight of 2-(3-nitro-1H-1,2,4-triazol-1-yl)-1,3,4-thiadiazole is 198.00 g/mol.
Where can I buy 2-(3-nitro-1H-1,2,4-triazol-1-yl)-1,3,4-thiadiazole?
You can request a quote for 2-(3-nitro-1H-1,2,4-triazol-1-yl)-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-(3-nitro-1H-1,2,4-triazol-1-yl)-1,3,4-thiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-nitro-1H-1,2,4-triazol-1-yl)-1,3,4-thiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.