![5-{[2-(Trifluoromethyl)phenyl]amino}-1,3,4-thiadiazole-2-thiol structure](/static/products/852/852399-74-7.png)
5-{[2-(Trifluoromethyl)phenyl]amino}-1,3,4-thiadiazole-2-thiol
TL;DR: 5-{[2-(Trifluoromethyl)phenyl]amino}-1,3,4-thiadiazole-2-thiol (CAS 852399-74-7) is a chemical compound with molecular formula C9H6F3N3S2 and molecular weight 277.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(trifluoromethyl)anilino]-3H-1,3,4-thiadiazole-2-thione
Also Known As: 5-{[2-(trifluoromethyl)phenyl]amino}-1,3,4-thiadiazole-2-thiol, 5-([2-(Trifluoromethyl)phenyl]amino)-1,3,4-thiadiazole-2-thiol, 5-[2-(trifluoromethyl)anilino]-3H-1,3,4-thiadiazole-2-thione, 5-{2-(Trifluoromethyl)phenylamino}-1,3,4-thiadiazole-2-thiol, 5-((2-(trifluoromethyl)phenyl)amino)-1,3,4-thiadiazole-2-thiol
| Molecular Formula | C9H6F3N3S2 |
|---|---|
| Molecular Weight | 277.00 g/mol |
| LogP | 3.96309 |
| Topological Polar Surface Area | 40.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 276.9955 |
| Heavy Atoms | 17 |
| Complexity | 573.10535 |
Chemical Identifiers
| CAS Number | 852399-74-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(F)(F)F)NC2=NNC(=S)S2 |
Product Overview
5-{[2-(Trifluoromethyl)phenyl]amino}-1,3,4-thiadiazole-2-thiol (CAS 852399-74-7), with molecular formula C9H6F3N3S2 and molecular weight 277.00 g/mol. IUPAC: 5-[2-(trifluoromethyl)anilino]-3H-1,3,4-thiadiazole-2-thione.
Chemical Property Profile of 5-{[2-(Trifluoromethyl)phenyl]amino}-1,3,4-thiadiazole-2-thiol
Property Insights of 5-{[2-(Trifluoromethyl)phenyl]amino}-1,3,4-thiadiazole-2-thiol
The XLogP value of 3.96309 indicates that 5-{[2-(Trifluoromethyl)phenyl]amino}-1,3,4-thiadiazole-2-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.71 Ų, 5-{[2-(Trifluoromethyl)phenyl]amino}-1,3,4-thiadiazole-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-{[2-(Trifluoromethyl)phenyl]amino}-1,3,4-thiadiazole-2-thiol has 2 hydrogen bond donor(s) and 4 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-(Trifluoromethyl)phenyl]amino}-1,3,4-thiadiazole-2-thiol?
The CAS number of 5-{[2-(Trifluoromethyl)phenyl]amino}-1,3,4-thiadiazole-2-thiol is 852399-74-7.
What is the molecular formula of 5-{[2-(Trifluoromethyl)phenyl]amino}-1,3,4-thiadiazole-2-thiol?
The molecular formula of 5-{[2-(Trifluoromethyl)phenyl]amino}-1,3,4-thiadiazole-2-thiol is C9H6F3N3S2.
What is the molecular weight of 5-{[2-(Trifluoromethyl)phenyl]amino}-1,3,4-thiadiazole-2-thiol?
The molecular weight of 5-{[2-(Trifluoromethyl)phenyl]amino}-1,3,4-thiadiazole-2-thiol is 277.00 g/mol.
Where can I buy 5-{[2-(Trifluoromethyl)phenyl]amino}-1,3,4-thiadiazole-2-thiol?
You can request a quote for 5-{[2-(Trifluoromethyl)phenyl]amino}-1,3,4-thiadiazole-2-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-{[2-(Trifluoromethyl)phenyl]amino}-1,3,4-thiadiazole-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-{[2-(Trifluoromethyl)phenyl]amino}-1,3,4-thiadiazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.