![5-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]-1-[3-(trifluoromethyl)phenyl]-1H-tetrazole structure](/static/products/898/898653-62-8.png)
5-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]-1-[3-(trifluoromethyl)phenyl]-1H-tetrazole
TL;DR: 5-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]-1-[3-(trifluoromethyl)phenyl]-1H-tetrazole (CAS 898653-62-8) is a chemical compound with molecular formula C11H8F3N7S and molecular weight 327.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1-[3-(trifluoromethyl)phenyl]tetrazole
Also Known As: 5-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]-1-[3-(trifluoromethyl)phenyl]-1H-tetrazole, 5-(((4H-1,2,4-triazol-3-yl)thio)methyl)-1-(3-(trifluoromethyl)phenyl)-1H-tetrazole, 5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1-[3-(trifluoromethyl)phenyl]tetrazole
| Molecular Formula | C11H8F3N7S |
|---|---|
| Molecular Weight | 327.05 g/mol |
| LogP | 2.0915 |
| Topological Polar Surface Area | 85.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.0514 |
| Heavy Atoms | 22 |
| Complexity | 753.1439 |
Chemical Identifiers
| CAS Number | 898653-62-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N2C(=NN=N2)CSC3=NC=NN3)C(F)(F)F |
Product Overview
5-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]-1-[3-(trifluoromethyl)phenyl]-1H-tetrazole (CAS 898653-62-8), with molecular formula C11H8F3N7S and molecular weight 327.05 g/mol. IUPAC: 5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1-[3-(trifluoromethyl)phenyl]tetrazole.
Chemical Property Profile of 5-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]-1-[3-(trifluoromethyl)phenyl]-1H-tetrazole
Property Insights of 5-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]-1-[3-(trifluoromethyl)phenyl]-1H-tetrazole
The XLogP value of 2.0915 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]-1-[3-(trifluoromethyl)phenyl]-1H-tetrazole. The TPSA of 85.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]-1-[3-(trifluoromethyl)phenyl]-1H-tetrazole. Following Lipinski's Rule of Five, 5-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]-1-[3-(trifluoromethyl)phenyl]-1H-tetrazole has 1 hydrogen bond donor(s) and 6 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-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]-1-[3-(trifluoromethyl)phenyl]-1H-tetrazole?
The CAS number of 5-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]-1-[3-(trifluoromethyl)phenyl]-1H-tetrazole is 898653-62-8.
What is the molecular formula of 5-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]-1-[3-(trifluoromethyl)phenyl]-1H-tetrazole?
The molecular formula of 5-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]-1-[3-(trifluoromethyl)phenyl]-1H-tetrazole is C11H8F3N7S.
What is the molecular weight of 5-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]-1-[3-(trifluoromethyl)phenyl]-1H-tetrazole?
The molecular weight of 5-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]-1-[3-(trifluoromethyl)phenyl]-1H-tetrazole is 327.05 g/mol.
Where can I buy 5-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]-1-[3-(trifluoromethyl)phenyl]-1H-tetrazole?
You can request a quote for 5-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]-1-[3-(trifluoromethyl)phenyl]-1H-tetrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]-1-[3-(trifluoromethyl)phenyl]-1H-tetrazole?
Yes, KEHONG BIO provides custom synthesis services for 5-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]-1-[3-(trifluoromethyl)phenyl]-1H-tetrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.