![3-[(3-Fluorophenyl)methylsulfanyl]-4,5-dimethyl-1,2,4-triazole structure](/static/products/899/899015-86-2.png)
3-[(3-Fluorophenyl)methylsulfanyl]-4,5-dimethyl-1,2,4-triazole
TL;DR: 3-[(3-Fluorophenyl)methylsulfanyl]-4,5-dimethyl-1,2,4-triazole (CAS 899015-86-2) is a chemical compound with molecular formula C11H12FN3S and molecular weight 237.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-fluorophenyl)methylsulfanyl]-4,5-dimethyl-1,2,4-triazole
Also Known As: 3-[(3-fluorophenyl)methylsulfanyl]-4,5-dimethyl-1,2,4-triazole, 3-[(3-fluorobenzyl)sulfanyl]-4,5-dimethyl-4H-1,2,4-triazole, 5-[(3-fluorophenyl)methylthio]-3,4-dimethyl-1,2,4-triazole, 4,5-DIMETHYL-4H-1,2,4-TRIAZOL-3-YL 3-FLUOROBENZYL SULFIDE, 3-{[(3-fluorophenyl)methyl]sulfanyl}-4,5-dimethyl-4H-1,2,4-triazole
| Molecular Formula | C11H12FN3S |
|---|---|
| Molecular Weight | 237.07 g/mol |
| LogP | 2.55492 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 237.0736 |
| Heavy Atoms | 16 |
| Complexity | 495.72495 |
Chemical Identifiers
| CAS Number | 899015-86-2 |
|---|---|
| SMILES | CC1=NN=C(N1C)SCC2=CC(=CC=C2)F |
Product Overview
3-[(3-Fluorophenyl)methylsulfanyl]-4,5-dimethyl-1,2,4-triazole (CAS 899015-86-2), with molecular formula C11H12FN3S and molecular weight 237.07 g/mol. IUPAC: 3-[(3-fluorophenyl)methylsulfanyl]-4,5-dimethyl-1,2,4-triazole.
Chemical Property Profile of 3-[(3-Fluorophenyl)methylsulfanyl]-4,5-dimethyl-1,2,4-triazole
Property Insights of 3-[(3-Fluorophenyl)methylsulfanyl]-4,5-dimethyl-1,2,4-triazole
The XLogP value of 2.55492 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(3-Fluorophenyl)methylsulfanyl]-4,5-dimethyl-1,2,4-triazole. With a topological polar surface area (TPSA) of 30.71 Ų, 3-[(3-Fluorophenyl)methylsulfanyl]-4,5-dimethyl-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(3-Fluorophenyl)methylsulfanyl]-4,5-dimethyl-1,2,4-triazole has 0 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-Fluorophenyl)methylsulfanyl]-4,5-dimethyl-1,2,4-triazole?
The CAS number of 3-[(3-Fluorophenyl)methylsulfanyl]-4,5-dimethyl-1,2,4-triazole is 899015-86-2.
What is the molecular formula of 3-[(3-Fluorophenyl)methylsulfanyl]-4,5-dimethyl-1,2,4-triazole?
The molecular formula of 3-[(3-Fluorophenyl)methylsulfanyl]-4,5-dimethyl-1,2,4-triazole is C11H12FN3S.
What is the molecular weight of 3-[(3-Fluorophenyl)methylsulfanyl]-4,5-dimethyl-1,2,4-triazole?
The molecular weight of 3-[(3-Fluorophenyl)methylsulfanyl]-4,5-dimethyl-1,2,4-triazole is 237.07 g/mol.
Where can I buy 3-[(3-Fluorophenyl)methylsulfanyl]-4,5-dimethyl-1,2,4-triazole?
You can request a quote for 3-[(3-Fluorophenyl)methylsulfanyl]-4,5-dimethyl-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-Fluorophenyl)methylsulfanyl]-4,5-dimethyl-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-[(3-Fluorophenyl)methylsulfanyl]-4,5-dimethyl-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.