3-((4-Fluorophenyl)sulfanyl)propanenitrile
TL;DR: 3-((4-Fluorophenyl)sulfanyl)propanenitrile (CAS 151922-79-1) is a chemical compound with molecular formula C9H8FNS and molecular weight 181.03615 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-fluorophenyl)sulfanylpropanenitrile
Also Known As: 3-[(4-fluorophenyl)sulfanyl]propanenitrile, 3-(4-fluorophenyl)sulfanylpropanenitrile, 3-(4-Fluorophenylthio)propanenitrile, (2-cyanoethyl)(4-fluorophenyl)sulfide, 3-((4-Fluorophenyl)sulfanyl)propanenitrile
Technical Specifications
| Molecular Formula | C9H8FNS |
| Molecular Weight | 181.03615 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 181.03615 Da |
| Heavy Atoms | 12 |
| Complexity | 167.0 |
| SMILES | C1=CC(=CC=C1F)SCCC#N |
| InChIKey | GDUSAWSKPTUNPD-UHFFFAOYSA-N |
Chemical Property Profile of 3-((4-Fluorophenyl)sulfanyl)propanenitrile
Property Insights of 3-((4-Fluorophenyl)sulfanyl)propanenitrile
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((4-Fluorophenyl)sulfanyl)propanenitrile. With a topological polar surface area (TPSA) of 49.1 Ų, 3-((4-Fluorophenyl)sulfanyl)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-((4-Fluorophenyl)sulfanyl)propanenitrile 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
What is the CAS number of 3-((4-Fluorophenyl)sulfanyl)propanenitrile?
The CAS number of 3-((4-Fluorophenyl)sulfanyl)propanenitrile is 151922-79-1.
What is the molecular formula of 3-((4-Fluorophenyl)sulfanyl)propanenitrile?
The molecular formula of 3-((4-Fluorophenyl)sulfanyl)propanenitrile is C9H8FNS.
What is the molecular weight of 3-((4-Fluorophenyl)sulfanyl)propanenitrile?
The molecular weight of 3-((4-Fluorophenyl)sulfanyl)propanenitrile is 181.03615 g/mol.
Where can I buy 3-((4-Fluorophenyl)sulfanyl)propanenitrile?
You can request a quote for 3-((4-Fluorophenyl)sulfanyl)propanenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-((4-Fluorophenyl)sulfanyl)propanenitrile?
Yes, CoreyChem provides custom synthesis services for 3-((4-Fluorophenyl)sulfanyl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.