![2-[(2-Chloro-1,1,2-trifluoroethyl)thio]aniline structure](/static/products/6296/6296-55-5.webp)
2-[(2-Chloro-1,1,2-trifluoroethyl)thio]aniline
TL;DR: 2-[(2-Chloro-1,1,2-trifluoroethyl)thio]aniline (CAS 6296-55-5) is a chemical compound with molecular formula C8H7ClF3NS and molecular weight 240.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-chloro-1,1,2-trifluoroethyl)sulfanylaniline
Also Known As: 2-[ thio]aniline, 2-[(2-chloro-1,1,2-trifluoroethyl)thio]aniline, EINECS 279-672-4, o-(2-Chloro-1,1,2-trifluoroethylthio)- aniline, 2-(2-Chloro-1,1,2-trifluoroethylthio)aniline
| Molecular Formula | C8H7ClF3NS |
|---|---|
| Molecular Weight | 240.99 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 51.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 240.99399 |
| Heavy Atoms | 14 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 6296-55-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)N)SC(C(F)Cl)(F)F |
| InChIKey | FCZIJASKFXRHTO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-[(2-Chloro-1,1,2-trifluoroethyl)thio]aniline (CAS 6296-55-5), with molecular formula C8H7ClF3NS and molecular weight 240.99 g/mol. IUPAC: 2-(2-chloro-1,1,2-trifluoroethyl)sulfanylaniline.
Chemical Property Profile of 2-[(2-Chloro-1,1,2-trifluoroethyl)thio]aniline
Property Insights of 2-[(2-Chloro-1,1,2-trifluoroethyl)thio]aniline
The XLogP value of 3.6 indicates that 2-[(2-Chloro-1,1,2-trifluoroethyl)thio]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, 2-[(2-Chloro-1,1,2-trifluoroethyl)thio]aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(2-Chloro-1,1,2-trifluoroethyl)thio]aniline has 1 hydrogen bond donor(s) and 5 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 2-[(2-Chloro-1,1,2-trifluoroethyl)thio]aniline?
The CAS number of 2-[(2-Chloro-1,1,2-trifluoroethyl)thio]aniline is 6296-55-5.
What is the molecular formula of 2-[(2-Chloro-1,1,2-trifluoroethyl)thio]aniline?
The molecular formula of 2-[(2-Chloro-1,1,2-trifluoroethyl)thio]aniline is C8H7ClF3NS.
What is the molecular weight of 2-[(2-Chloro-1,1,2-trifluoroethyl)thio]aniline?
The molecular weight of 2-[(2-Chloro-1,1,2-trifluoroethyl)thio]aniline is 240.99 g/mol.
Where can I buy 2-[(2-Chloro-1,1,2-trifluoroethyl)thio]aniline?
You can request a quote for 2-[(2-Chloro-1,1,2-trifluoroethyl)thio]aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2-Chloro-1,1,2-trifluoroethyl)thio]aniline?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-Chloro-1,1,2-trifluoroethyl)thio]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.