3-Chloro-4-(1,1,2,2-tetrafluoroethylsulfanyl)aniline
TL;DR: 3-Chloro-4-(1,1,2,2-tetrafluoroethylsulfanyl)aniline (CAS 100280-17-9) is a chemical compound with molecular formula C8H6ClF4NS and molecular weight 258.98456 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-chloro-4-(1,1,2,2-tetrafluoroethylsulfanyl)aniline
Also Known As: 3-chloro-4-(1,1,2,2-tetrafluoroethylsulfanyl)aniline, 3-Chloro-4-(1,1,2,2-tetrafluoroethylthio)aniline, 3-chloro-4-[(1,1,2,2-tetrafluoroethyl)sulfanyl]aniline, Benzenamine, 3-chloro-4-[(1,1,2,2-tetrafluoroethyl)thio]-
Technical Specifications
| Molecular Formula | C8H6ClF4NS |
| Molecular Weight | 258.98456 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 51.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.98456 Da |
| Heavy Atoms | 15 |
| Complexity | 217.0 |
| SMILES | C1=CC(=C(C=C1N)Cl)SC(C(F)F)(F)F |
| InChIKey | KUFOGLLQLNDGKU-UHFFFAOYSA-N |
Chemical Property Profile of 3-Chloro-4-(1,1,2,2-tetrafluoroethylsulfanyl)aniline
Property Insights of 3-Chloro-4-(1,1,2,2-tetrafluoroethylsulfanyl)aniline
The XLogP value of 4.0 indicates that 3-Chloro-4-(1,1,2,2-tetrafluoroethylsulfanyl)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, 3-Chloro-4-(1,1,2,2-tetrafluoroethylsulfanyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-4-(1,1,2,2-tetrafluoroethylsulfanyl)aniline has 1 hydrogen bond donor(s) and 6 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-Chloro-4-(1,1,2,2-tetrafluoroethylsulfanyl)aniline?
The CAS number of 3-Chloro-4-(1,1,2,2-tetrafluoroethylsulfanyl)aniline is 100280-17-9.
What is the molecular formula of 3-Chloro-4-(1,1,2,2-tetrafluoroethylsulfanyl)aniline?
The molecular formula of 3-Chloro-4-(1,1,2,2-tetrafluoroethylsulfanyl)aniline is C8H6ClF4NS.
What is the molecular weight of 3-Chloro-4-(1,1,2,2-tetrafluoroethylsulfanyl)aniline?
The molecular weight of 3-Chloro-4-(1,1,2,2-tetrafluoroethylsulfanyl)aniline is 258.98456 g/mol.
Where can I buy 3-Chloro-4-(1,1,2,2-tetrafluoroethylsulfanyl)aniline?
You can request a quote for 3-Chloro-4-(1,1,2,2-tetrafluoroethylsulfanyl)aniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Chloro-4-(1,1,2,2-tetrafluoroethylsulfanyl)aniline?
Yes, CoreyChem provides custom synthesis services for 3-Chloro-4-(1,1,2,2-tetrafluoroethylsulfanyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.