3-(methylsulfanyl)-5-(trifluoromethyl)-1H-1,2,4-triazole
TL;DR: 3-(methylsulfanyl)-5-(trifluoromethyl)-1H-1,2,4-triazole (CAS 111451-94-6) is a chemical compound with molecular formula C4H4F3N3S and molecular weight 183.0078 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methylsulfanyl-5-(trifluoromethyl)-1H-1,2,4-triazole
Also Known As: starbld0030084, 5-(methylthio)-3-(trifluoromethyl)-1H-1,2,4-triazole, 3-methylsulfanyl-5-(trifluoromethyl)-1H-1,2,4-triazole, 5-(methylsulfanyl)-3-(trifluoromethyl)-1H-1,2,4-triazole, 3-(methylthio)-5-(trifluoromethyl)-4H-1,2,4-triazole
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H4F3N3S |
| Molecular Weight | 183.0078 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 66.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 183.0078 Da |
| Heavy Atoms | 11 |
| Complexity | 139.0 |
| SMILES | CSC1=NNC(=N1)C(F)(F)F |
| InChIKey | LEAHFTZWPOBSNA-UHFFFAOYSA-N |
Chemical Property Profile of 3-(methylsulfanyl)-5-(trifluoromethyl)-1H-1,2,4-triazole
Property Insights of 3-(methylsulfanyl)-5-(trifluoromethyl)-1H-1,2,4-triazole
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(methylsulfanyl)-5-(trifluoromethyl)-1H-1,2,4-triazole. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(methylsulfanyl)-5-(trifluoromethyl)-1H-1,2,4-triazole. Following Lipinski's Rule of Five, 3-(methylsulfanyl)-5-(trifluoromethyl)-1H-1,2,4-triazole 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
What is the CAS number of 3-(methylsulfanyl)-5-(trifluoromethyl)-1H-1,2,4-triazole?
The CAS number of 3-(methylsulfanyl)-5-(trifluoromethyl)-1H-1,2,4-triazole is 111451-94-6.
What is the molecular formula of 3-(methylsulfanyl)-5-(trifluoromethyl)-1H-1,2,4-triazole?
The molecular formula of 3-(methylsulfanyl)-5-(trifluoromethyl)-1H-1,2,4-triazole is C4H4F3N3S.
What is the molecular weight of 3-(methylsulfanyl)-5-(trifluoromethyl)-1H-1,2,4-triazole?
The molecular weight of 3-(methylsulfanyl)-5-(trifluoromethyl)-1H-1,2,4-triazole is 183.0078 g/mol.
Where can I buy 3-(methylsulfanyl)-5-(trifluoromethyl)-1H-1,2,4-triazole?
You can request a quote for 3-(methylsulfanyl)-5-(trifluoromethyl)-1H-1,2,4-triazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(methylsulfanyl)-5-(trifluoromethyl)-1H-1,2,4-triazole?
Yes, CoreyChem provides custom synthesis services for 3-(methylsulfanyl)-5-(trifluoromethyl)-1H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.