4-(Heptafluoropropylthio)aniline
TL;DR: 4-(Heptafluoropropylthio)aniline (CAS 142351-71-1) is a chemical compound with molecular formula C9H6F7NS and molecular weight 293.01093 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)aniline
Also Known As: 4-(HEPTAFLUOROPROPYLTHIO)ANILINE, 4-(Perfluoropropylthio)aniline, 4-((Perfluoropropyl)thio)aniline, 4-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)aniline, 4-(heptafluoro-n-propylthio)aniline
Technical Specifications
| Molecular Formula | C9H6F7NS |
| Molecular Weight | 293.01093 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 51.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 293.01093 Da |
| Heavy Atoms | 18 |
| Complexity | 283.0 |
| SMILES | C1=CC(=CC=C1N)SC(C(C(F)(F)F)(F)F)(F)F |
| InChIKey | QUHWKSKVSOZEHX-UHFFFAOYSA-N |
Chemical Property Profile of 4-(Heptafluoropropylthio)aniline
Property Insights of 4-(Heptafluoropropylthio)aniline
The XLogP value of 4.3 indicates that 4-(Heptafluoropropylthio)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.3 Ų, 4-(Heptafluoropropylthio)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Heptafluoropropylthio)aniline has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-(Heptafluoropropylthio)aniline?
The CAS number of 4-(Heptafluoropropylthio)aniline is 142351-71-1.
What is the molecular formula of 4-(Heptafluoropropylthio)aniline?
The molecular formula of 4-(Heptafluoropropylthio)aniline is C9H6F7NS.
What is the molecular weight of 4-(Heptafluoropropylthio)aniline?
The molecular weight of 4-(Heptafluoropropylthio)aniline is 293.01093 g/mol.
Where can I buy 4-(Heptafluoropropylthio)aniline?
You can request a quote for 4-(Heptafluoropropylthio)aniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(Heptafluoropropylthio)aniline?
Yes, CoreyChem provides custom synthesis services for 4-(Heptafluoropropylthio)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.