![5-(2,2-dimethoxyethyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-ylhydrosulfide structure](/static/products/4778/477850-72-9.webp)
5-(2,2-dimethoxyethyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-ylhydrosulfide
TL;DR: 5-(2,2-dimethoxyethyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-ylhydrosulfide (CAS 477850-72-9) is a chemical compound with molecular formula C13H14F3N3O2S and molecular weight 333.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,2-dimethoxyethyl)-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione
Also Known As: 5-(2,2-dimethoxyethyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-ylhydrosulfide, 3-(2,2-dimethoxyethyl)-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione, 5-(2,2-dimethoxyethyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol, 5-(2,2-Dimethoxyethyl)-4-3-(trifluoromethyl)phenyl-4H-1,2,4-triazol-3-ylhydrosulfide
| Molecular Formula | C13H14F3N3O2S |
|---|---|
| Molecular Weight | 333.08 g/mol |
| LogP | 3.11009 |
| Topological Polar Surface Area | 52.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 333.0759 |
| Heavy Atoms | 22 |
| Complexity | 692.32416 |
Chemical Identifiers
| CAS Number | 477850-72-9 |
|---|---|
| SMILES | COC(CC1=NNC(=S)N1C2=CC=CC(=C2)C(F)(F)F)OC |
Product Overview
5-(2,2-dimethoxyethyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-ylhydrosulfide (CAS 477850-72-9), with molecular formula C13H14F3N3O2S and molecular weight 333.08 g/mol. IUPAC: 3-(2,2-dimethoxyethyl)-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(2,2-dimethoxyethyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-ylhydrosulfide
Property Insights of 5-(2,2-dimethoxyethyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-ylhydrosulfide
The XLogP value of 3.11009 indicates that 5-(2,2-dimethoxyethyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-ylhydrosulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.07 Ų, 5-(2,2-dimethoxyethyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-ylhydrosulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(2,2-dimethoxyethyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-ylhydrosulfide has 1 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-(2,2-dimethoxyethyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-ylhydrosulfide?
The CAS number of 5-(2,2-dimethoxyethyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-ylhydrosulfide is 477850-72-9.
What is the molecular formula of 5-(2,2-dimethoxyethyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-ylhydrosulfide?
The molecular formula of 5-(2,2-dimethoxyethyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-ylhydrosulfide is C13H14F3N3O2S.
What is the molecular weight of 5-(2,2-dimethoxyethyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-ylhydrosulfide?
The molecular weight of 5-(2,2-dimethoxyethyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-ylhydrosulfide is 333.08 g/mol.
Where can I buy 5-(2,2-dimethoxyethyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-ylhydrosulfide?
You can request a quote for 5-(2,2-dimethoxyethyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-ylhydrosulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2,2-dimethoxyethyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-ylhydrosulfide?
Yes, KEHONG BIO provides custom synthesis services for 5-(2,2-dimethoxyethyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-ylhydrosulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.