![4-methyl-5-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione structure](/static/products/866/866153-83-5.png)
4-methyl-5-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
TL;DR: 4-methyl-5-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 866153-83-5) is a chemical compound with molecular formula C10H8F3N3S and molecular weight 259.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione
Also Known As: 4-methyl-3-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazole-5-thione, 4-methyl-5-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione, 4-methyl-3-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione, 4-Methyl-5-(3-trifluoromethyl-phenyl)-2,4-dihydro-, 4-methyl-5-(3-trifluoromethylphenyl)-2,4-dihydro-3h-1,2,4-triazole-3-thione
| Molecular Formula | C10H8F3N3S |
|---|---|
| Molecular Weight | 259.04 g/mol |
| LogP | 3.16349 |
| Topological Polar Surface Area | 33.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 259.0391 |
| Heavy Atoms | 17 |
| Complexity | 597.329 |
Chemical Identifiers
| CAS Number | 866153-83-5 |
|---|---|
| SMILES | CN1C(=NNC1=S)C2=CC(=CC=C2)C(F)(F)F |
Product Overview
4-methyl-5-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 866153-83-5), with molecular formula C10H8F3N3S and molecular weight 259.04 g/mol. IUPAC: 4-methyl-3-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-methyl-5-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Property Insights of 4-methyl-5-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
The XLogP value of 3.16349 indicates that 4-methyl-5-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.61 Ų, 4-methyl-5-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-methyl-5-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione has 1 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 4-methyl-5-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The CAS number of 4-methyl-5-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione is 866153-83-5.
What is the molecular formula of 4-methyl-5-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular formula of 4-methyl-5-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione is C10H8F3N3S.
What is the molecular weight of 4-methyl-5-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular weight of 4-methyl-5-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione is 259.04 g/mol.
Where can I buy 4-methyl-5-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione?
You can request a quote for 4-methyl-5-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methyl-5-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-methyl-5-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.