3-(butylthio)-5-(difluoromethyl)-4H-1,2,4-triazol-4-amine
TL;DR: 3-(butylthio)-5-(difluoromethyl)-4H-1,2,4-triazol-4-amine (CAS 1432026-63-5) is a chemical compound with molecular formula C7H12F2N4S and molecular weight 222.07507 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-butylsulfanyl-5-(difluoromethyl)-1,2,4-triazol-4-amine
Also Known As: 3-(butylthio)-5-(difluoromethyl)-4H-1,2,4-triazol-4-amine, 3-(butylsulfanyl)-5-(difluoromethyl)-4H-1,2,4-triazol-4-amine, 3-butylsulfanyl-5-(difluoromethyl)-1,2,4-triazol-4-amine, 3-Butylsulfanyl-5-difluoromethyl-[1,2,4]triazol-4-ylamine, 4H-1,2,4-triazol-4-amine, 3-(butylthio)-5-(difluoromethyl)-
Technical Specifications
| Molecular Formula | C7H12F2N4S |
| Molecular Weight | 222.07507 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 82.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 222.07507 Da |
| Heavy Atoms | 14 |
| Complexity | 172.0 |
| SMILES | CCCCSC1=NN=C(N1N)C(F)F |
| InChIKey | QWKXFWOAZSFOTR-UHFFFAOYSA-N |
Chemical Property Profile of 3-(butylthio)-5-(difluoromethyl)-4H-1,2,4-triazol-4-amine
Property Insights of 3-(butylthio)-5-(difluoromethyl)-4H-1,2,4-triazol-4-amine
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(butylthio)-5-(difluoromethyl)-4H-1,2,4-triazol-4-amine. The TPSA of 82.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(butylthio)-5-(difluoromethyl)-4H-1,2,4-triazol-4-amine. Following Lipinski's Rule of Five, 3-(butylthio)-5-(difluoromethyl)-4H-1,2,4-triazol-4-amine 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-(butylthio)-5-(difluoromethyl)-4H-1,2,4-triazol-4-amine?
The CAS number of 3-(butylthio)-5-(difluoromethyl)-4H-1,2,4-triazol-4-amine is 1432026-63-5.
What is the molecular formula of 3-(butylthio)-5-(difluoromethyl)-4H-1,2,4-triazol-4-amine?
The molecular formula of 3-(butylthio)-5-(difluoromethyl)-4H-1,2,4-triazol-4-amine is C7H12F2N4S.
What is the molecular weight of 3-(butylthio)-5-(difluoromethyl)-4H-1,2,4-triazol-4-amine?
The molecular weight of 3-(butylthio)-5-(difluoromethyl)-4H-1,2,4-triazol-4-amine is 222.07507 g/mol.
Where can I buy 3-(butylthio)-5-(difluoromethyl)-4H-1,2,4-triazol-4-amine?
You can request a quote for 3-(butylthio)-5-(difluoromethyl)-4H-1,2,4-triazol-4-amine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(butylthio)-5-(difluoromethyl)-4H-1,2,4-triazol-4-amine?
Yes, CoreyChem provides custom synthesis services for 3-(butylthio)-5-(difluoromethyl)-4H-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.