2-Chloro-4-(2-chloro-1,1,2-trifluoroethyl)sulfinylaniline
TL;DR: 2-Chloro-4-(2-chloro-1,1,2-trifluoroethyl)sulfinylaniline (CAS 100331-23-5) is a chemical compound with molecular formula C8H6Cl2F3NOS and molecular weight 290.94992 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-4-(2-chloro-1,1,2-trifluoroethyl)sulfinylaniline
Also Known As: 2-Chloro-4-(2-chloro-1,1,2-trifluoroethyl)sulfinylaniline, 2-chloro-4-(2-chloro-1,1,2-trifluoro-ethyl)sulfinyl-aniline, 2-CHLORO-4-(2-CHLORO-1,1,2-TRIFLUOROETHANESULFINYL)ANILINE
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H6Cl2F3NOS |
| Molecular Weight | 290.94992 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 62.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 290.94992 Da |
| Heavy Atoms | 16 |
| Complexity | 282.0 |
| SMILES | C1=CC(=C(C=C1S(=O)C(C(F)Cl)(F)F)Cl)N |
| InChIKey | BBQYZACEGYLQLU-UHFFFAOYSA-N |
Chemical Property Profile of 2-Chloro-4-(2-chloro-1,1,2-trifluoroethyl)sulfinylaniline
Property Insights of 2-Chloro-4-(2-chloro-1,1,2-trifluoroethyl)sulfinylaniline
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-4-(2-chloro-1,1,2-trifluoroethyl)sulfinylaniline. The TPSA of 62.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-4-(2-chloro-1,1,2-trifluoroethyl)sulfinylaniline. Following Lipinski's Rule of Five, 2-Chloro-4-(2-chloro-1,1,2-trifluoroethyl)sulfinylaniline 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 2-Chloro-4-(2-chloro-1,1,2-trifluoroethyl)sulfinylaniline?
The CAS number of 2-Chloro-4-(2-chloro-1,1,2-trifluoroethyl)sulfinylaniline is 100331-23-5.
What is the molecular formula of 2-Chloro-4-(2-chloro-1,1,2-trifluoroethyl)sulfinylaniline?
The molecular formula of 2-Chloro-4-(2-chloro-1,1,2-trifluoroethyl)sulfinylaniline is C8H6Cl2F3NOS.
What is the molecular weight of 2-Chloro-4-(2-chloro-1,1,2-trifluoroethyl)sulfinylaniline?
The molecular weight of 2-Chloro-4-(2-chloro-1,1,2-trifluoroethyl)sulfinylaniline is 290.94992 g/mol.
Where can I buy 2-Chloro-4-(2-chloro-1,1,2-trifluoroethyl)sulfinylaniline?
You can request a quote for 2-Chloro-4-(2-chloro-1,1,2-trifluoroethyl)sulfinylaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Chloro-4-(2-chloro-1,1,2-trifluoroethyl)sulfinylaniline?
Yes, CoreyChem provides custom synthesis services for 2-Chloro-4-(2-chloro-1,1,2-trifluoroethyl)sulfinylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.