![3-[[5-(4-Fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile structure](/static/products/851/851280-86-9.png)
3-[[5-(4-Fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile
TL;DR: 3-[[5-(4-Fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile (CAS 851280-86-9) is a chemical compound with molecular formula C12H11FN4S and molecular weight 262.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile
Also Known As: 3-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile, 3-{[5-(4-fluorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}propanenitrile
| Molecular Formula | C12H11FN4S |
|---|---|
| Molecular Weight | 262.07 g/mol |
| LogP | 2.62698 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 262.06885 |
| Heavy Atoms | 18 |
| Complexity | 570.7536 |
Chemical Identifiers
| CAS Number | 851280-86-9 |
|---|---|
| SMILES | CN1C(=NN=C1SCCC#N)C2=CC=C(C=C2)F |
Product Overview
3-[[5-(4-Fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile (CAS 851280-86-9), with molecular formula C12H11FN4S and molecular weight 262.07 g/mol. IUPAC: 3-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile.
Chemical Property Profile of 3-[[5-(4-Fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile
Property Insights of 3-[[5-(4-Fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile
The XLogP value of 2.62698 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[[5-(4-Fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile. With a topological polar surface area (TPSA) of 54.5 Ų, 3-[[5-(4-Fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[[5-(4-Fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile has 0 hydrogen bond donor(s) and 4 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-[[5-(4-Fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile?
The CAS number of 3-[[5-(4-Fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile is 851280-86-9.
What is the molecular formula of 3-[[5-(4-Fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile?
The molecular formula of 3-[[5-(4-Fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile is C12H11FN4S.
What is the molecular weight of 3-[[5-(4-Fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile?
The molecular weight of 3-[[5-(4-Fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile is 262.07 g/mol.
Where can I buy 3-[[5-(4-Fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile?
You can request a quote for 3-[[5-(4-Fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[[5-(4-Fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[[5-(4-Fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.