![5-{[2-Nitro-4-(trifluoromethyl)phenyl]sulfanyl}-1,2,3-thiadiazole structure](/static/products/3384/338409-86-2.webp)
5-{[2-Nitro-4-(trifluoromethyl)phenyl]sulfanyl}-1,2,3-thiadiazole
TL;DR: 5-{[2-Nitro-4-(trifluoromethyl)phenyl]sulfanyl}-1,2,3-thiadiazole (CAS 338409-86-2) is a chemical compound with molecular formula C9H4F3N3O2S2 and molecular weight 306.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylthiadiazole
Also Known As: 3H-549S, 5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylthiadiazole, 5-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}-1,2,3-thiadiazole
| Molecular Formula | C9H4F3N3O2S2 |
|---|---|
| Molecular Weight | 306.97 g/mol |
| LogP | 3.6163 |
| Topological Polar Surface Area | 68.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 306.9697 |
| Heavy Atoms | 19 |
| Complexity | 601.25244 |
Chemical Identifiers
| CAS Number | 338409-86-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])SC2=CN=NS2 |
Product Overview
5-{[2-Nitro-4-(trifluoromethyl)phenyl]sulfanyl}-1,2,3-thiadiazole (CAS 338409-86-2), with molecular formula C9H4F3N3O2S2 and molecular weight 306.97 g/mol. IUPAC: 5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylthiadiazole.
Chemical Property Profile of 5-{[2-Nitro-4-(trifluoromethyl)phenyl]sulfanyl}-1,2,3-thiadiazole
Property Insights of 5-{[2-Nitro-4-(trifluoromethyl)phenyl]sulfanyl}-1,2,3-thiadiazole
The XLogP value of 3.6163 indicates that 5-{[2-Nitro-4-(trifluoromethyl)phenyl]sulfanyl}-1,2,3-thiadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-{[2-Nitro-4-(trifluoromethyl)phenyl]sulfanyl}-1,2,3-thiadiazole. Following Lipinski's Rule of Five, 5-{[2-Nitro-4-(trifluoromethyl)phenyl]sulfanyl}-1,2,3-thiadiazole has 0 hydrogen bond donor(s) and 6 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-Nitro-4-(trifluoromethyl)phenyl]sulfanyl}-1,2,3-thiadiazole?
The CAS number of 5-{[2-Nitro-4-(trifluoromethyl)phenyl]sulfanyl}-1,2,3-thiadiazole is 338409-86-2.
What is the molecular formula of 5-{[2-Nitro-4-(trifluoromethyl)phenyl]sulfanyl}-1,2,3-thiadiazole?
The molecular formula of 5-{[2-Nitro-4-(trifluoromethyl)phenyl]sulfanyl}-1,2,3-thiadiazole is C9H4F3N3O2S2.
What is the molecular weight of 5-{[2-Nitro-4-(trifluoromethyl)phenyl]sulfanyl}-1,2,3-thiadiazole?
The molecular weight of 5-{[2-Nitro-4-(trifluoromethyl)phenyl]sulfanyl}-1,2,3-thiadiazole is 306.97 g/mol.
Where can I buy 5-{[2-Nitro-4-(trifluoromethyl)phenyl]sulfanyl}-1,2,3-thiadiazole?
You can request a quote for 5-{[2-Nitro-4-(trifluoromethyl)phenyl]sulfanyl}-1,2,3-thiadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-{[2-Nitro-4-(trifluoromethyl)phenyl]sulfanyl}-1,2,3-thiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 5-{[2-Nitro-4-(trifluoromethyl)phenyl]sulfanyl}-1,2,3-thiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.