![4-[3-(Trifluoromethyl)phenyl]-1,2,3-thiadiazole structure](/static/products/7741/77414-48-3.webp)
4-[3-(Trifluoromethyl)phenyl]-1,2,3-thiadiazole
TL;DR: 4-[3-(Trifluoromethyl)phenyl]-1,2,3-thiadiazole (CAS 77414-48-3) is a chemical compound with molecular formula C9H5F3N2S and molecular weight 230.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(trifluoromethyl)phenyl]thiadiazole
Also Known As: 4-[3-(trifluoromethyl)phenyl]-1,2,3-thiadiazole, Bionet2_000911, 4-[3-(trifluoromethyl)phenyl]thiadiazole, 1,2,3-Thiadiazole, 4-[3-(trifluoromethyl)phenyl]-
| Molecular Formula | C9H5F3N2S |
|---|---|
| Molecular Weight | 230.01 g/mol |
| LogP | 3.2239 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 230.01256 |
| Heavy Atoms | 15 |
| Complexity | 450.63107 |
Chemical Identifiers
| CAS Number | 77414-48-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)C2=CSN=N2 |
Product Overview
4-[3-(Trifluoromethyl)phenyl]-1,2,3-thiadiazole (CAS 77414-48-3), with molecular formula C9H5F3N2S and molecular weight 230.01 g/mol. IUPAC: 4-[3-(trifluoromethyl)phenyl]thiadiazole.
Chemical Property Profile of 4-[3-(Trifluoromethyl)phenyl]-1,2,3-thiadiazole
Property Insights of 4-[3-(Trifluoromethyl)phenyl]-1,2,3-thiadiazole
The XLogP value of 3.2239 indicates that 4-[3-(Trifluoromethyl)phenyl]-1,2,3-thiadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.78 Ų, 4-[3-(Trifluoromethyl)phenyl]-1,2,3-thiadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[3-(Trifluoromethyl)phenyl]-1,2,3-thiadiazole has 0 hydrogen bond donor(s) and 3 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 4-[3-(Trifluoromethyl)phenyl]-1,2,3-thiadiazole?
The CAS number of 4-[3-(Trifluoromethyl)phenyl]-1,2,3-thiadiazole is 77414-48-3.
What is the molecular formula of 4-[3-(Trifluoromethyl)phenyl]-1,2,3-thiadiazole?
The molecular formula of 4-[3-(Trifluoromethyl)phenyl]-1,2,3-thiadiazole is C9H5F3N2S.
What is the molecular weight of 4-[3-(Trifluoromethyl)phenyl]-1,2,3-thiadiazole?
The molecular weight of 4-[3-(Trifluoromethyl)phenyl]-1,2,3-thiadiazole is 230.01 g/mol.
Where can I buy 4-[3-(Trifluoromethyl)phenyl]-1,2,3-thiadiazole?
You can request a quote for 4-[3-(Trifluoromethyl)phenyl]-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 4-[3-(Trifluoromethyl)phenyl]-1,2,3-thiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 4-[3-(Trifluoromethyl)phenyl]-1,2,3-thiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.