5-(3,5-Bis(trifluoromethyl)phenyl)-1H-1,2,4-triazole-3(2H)-thione
TL;DR: 5-(3,5-Bis(trifluoromethyl)phenyl)-1H-1,2,4-triazole-3(2H)-thione (CAS 175276-77-4) is a chemical compound with molecular formula C10H5F6N3S and molecular weight 313.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[3,5-bis(trifluoromethyl)phenyl]-1,2-dihydro-1,2,4-triazole-3-thione
Also Known As: Maybridge4_004289, 5-(3,5-Bis(trifluoromethyl)phenyl)-1H-1,2,4-triazole-3(2H)-thione, 5806AD, 5-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]-1,2,4-TRIAZOLE-3-(2H)-THIONE, 5-[3,5-Bis(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C10H5F6N3S |
|---|---|
| Molecular Weight | 313.01 g/mol |
| LogP | 4.17189 |
| Topological Polar Surface Area | 44.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 313.01083 |
| Heavy Atoms | 20 |
| Complexity | 649.027 |
Chemical Identifiers
| CAS Number | 175276-77-4 |
|---|---|
| SMILES | C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C2=NC(=S)NN2 |
Product Overview
5-(3,5-Bis(trifluoromethyl)phenyl)-1H-1,2,4-triazole-3(2H)-thione (CAS 175276-77-4), with molecular formula C10H5F6N3S and molecular weight 313.01 g/mol. IUPAC: 5-[3,5-bis(trifluoromethyl)phenyl]-1,2-dihydro-1,2,4-triazole-3-thione.
Chemical Property Profile of 5-(3,5-Bis(trifluoromethyl)phenyl)-1H-1,2,4-triazole-3(2H)-thione
Property Insights of 5-(3,5-Bis(trifluoromethyl)phenyl)-1H-1,2,4-triazole-3(2H)-thione
The XLogP value of 4.17189 indicates that 5-(3,5-Bis(trifluoromethyl)phenyl)-1H-1,2,4-triazole-3(2H)-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.47 Ų, 5-(3,5-Bis(trifluoromethyl)phenyl)-1H-1,2,4-triazole-3(2H)-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(3,5-Bis(trifluoromethyl)phenyl)-1H-1,2,4-triazole-3(2H)-thione has 2 hydrogen bond donor(s) and 2 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-(3,5-Bis(trifluoromethyl)phenyl)-1H-1,2,4-triazole-3(2H)-thione?
The CAS number of 5-(3,5-Bis(trifluoromethyl)phenyl)-1H-1,2,4-triazole-3(2H)-thione is 175276-77-4.
What is the molecular formula of 5-(3,5-Bis(trifluoromethyl)phenyl)-1H-1,2,4-triazole-3(2H)-thione?
The molecular formula of 5-(3,5-Bis(trifluoromethyl)phenyl)-1H-1,2,4-triazole-3(2H)-thione is C10H5F6N3S.
What is the molecular weight of 5-(3,5-Bis(trifluoromethyl)phenyl)-1H-1,2,4-triazole-3(2H)-thione?
The molecular weight of 5-(3,5-Bis(trifluoromethyl)phenyl)-1H-1,2,4-triazole-3(2H)-thione is 313.01 g/mol.
Where can I buy 5-(3,5-Bis(trifluoromethyl)phenyl)-1H-1,2,4-triazole-3(2H)-thione?
You can request a quote for 5-(3,5-Bis(trifluoromethyl)phenyl)-1H-1,2,4-triazole-3(2H)-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3,5-Bis(trifluoromethyl)phenyl)-1H-1,2,4-triazole-3(2H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-(3,5-Bis(trifluoromethyl)phenyl)-1H-1,2,4-triazole-3(2H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.