![3-(3,4-Difluoro-benzylsulfanyl)-4H-[1,2,4]triazole structure](/static/products/733/733044-68-3.png)
3-(3,4-Difluoro-benzylsulfanyl)-4H-[1,2,4]triazole
TL;DR: 3-(3,4-Difluoro-benzylsulfanyl)-4H-[1,2,4]triazole (CAS 733044-68-3) is a chemical compound with molecular formula C9H7F2N3S and molecular weight 227.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3,4-difluorophenyl)methylsulfanyl]-1H-1,2,4-triazole
Also Known As: 5-((3,4-difluorobenzyl)thio)-1H-1,2,4-triazole, 3-(3,4-Difluoro-benzylsulfanyl)-4H-[1,2,4]triazole, 3-[(3,4-difluorophenyl)methylsulfanyl]-4H-1,2,4-triazole, 5-[(3,4-difluorophenyl)methylsulfanyl]-1H-1,2,4-triazole
| Molecular Formula | C9H7F2N3S |
|---|---|
| Molecular Weight | 227.03 g/mol |
| LogP | 2.3752 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 227.03287 |
| Heavy Atoms | 15 |
| Complexity | 444.62305 |
Chemical Identifiers
| CAS Number | 733044-68-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1CSC2=NC=NN2)F)F |
Product Overview
3-(3,4-Difluoro-benzylsulfanyl)-4H-[1,2,4]triazole (CAS 733044-68-3), with molecular formula C9H7F2N3S and molecular weight 227.03 g/mol. IUPAC: 5-[(3,4-difluorophenyl)methylsulfanyl]-1H-1,2,4-triazole.
Chemical Property Profile of 3-(3,4-Difluoro-benzylsulfanyl)-4H-[1,2,4]triazole
Property Insights of 3-(3,4-Difluoro-benzylsulfanyl)-4H-[1,2,4]triazole
The XLogP value of 2.3752 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3,4-Difluoro-benzylsulfanyl)-4H-[1,2,4]triazole. With a topological polar surface area (TPSA) of 41.57 Ų, 3-(3,4-Difluoro-benzylsulfanyl)-4H-[1,2,4]triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3,4-Difluoro-benzylsulfanyl)-4H-[1,2,4]triazole has 1 hydrogen bond donor(s) and 3 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 3-(3,4-Difluoro-benzylsulfanyl)-4H-[1,2,4]triazole?
The CAS number of 3-(3,4-Difluoro-benzylsulfanyl)-4H-[1,2,4]triazole is 733044-68-3.
What is the molecular formula of 3-(3,4-Difluoro-benzylsulfanyl)-4H-[1,2,4]triazole?
The molecular formula of 3-(3,4-Difluoro-benzylsulfanyl)-4H-[1,2,4]triazole is C9H7F2N3S.
What is the molecular weight of 3-(3,4-Difluoro-benzylsulfanyl)-4H-[1,2,4]triazole?
The molecular weight of 3-(3,4-Difluoro-benzylsulfanyl)-4H-[1,2,4]triazole is 227.03 g/mol.
Where can I buy 3-(3,4-Difluoro-benzylsulfanyl)-4H-[1,2,4]triazole?
You can request a quote for 3-(3,4-Difluoro-benzylsulfanyl)-4H-[1,2,4]triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3,4-Difluoro-benzylsulfanyl)-4H-[1,2,4]triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4-Difluoro-benzylsulfanyl)-4H-[1,2,4]triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.