3-Chloro-4-(trifluoromethylthio)aniline
TL;DR: 3-Chloro-4-(trifluoromethylthio)aniline (CAS 64628-75-7) is a chemical compound with molecular formula C7H5ClF3NS and molecular weight 226.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-4-(trifluoromethylsulfanyl)aniline
Also Known As: 3-Chloro-4-(trifluoromethylthio)aniline, 3-Chloro-4-((trifluoromethyl)thio)aniline, 3-chloro-4-(trifluoromethylsulfanyl)aniline, 3-CHLORO-4- ANILINE, 3-chloro-4-[(trifluoromethyl)sulfanyl]aniline
| Molecular Formula | C7H5ClF3NS |
|---|---|
| Molecular Weight | 226.98 g/mol |
| LogP | 3.5341 |
| Topological Polar Surface Area | 26.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 226.97833 |
| Heavy Atoms | 13 |
| Complexity | 313.09622 |
Chemical Identifiers
| CAS Number | 64628-75-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1N)Cl)SC(F)(F)F |
Product Overview
3-Chloro-4-(trifluoromethylthio)aniline (CAS 64628-75-7), with molecular formula C7H5ClF3NS and molecular weight 226.98 g/mol. IUPAC: 3-chloro-4-(trifluoromethylsulfanyl)aniline.
Chemical Property Profile of 3-Chloro-4-(trifluoromethylthio)aniline
Property Insights of 3-Chloro-4-(trifluoromethylthio)aniline
The XLogP value of 3.5341 indicates that 3-Chloro-4-(trifluoromethylthio)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.02 Ų, 3-Chloro-4-(trifluoromethylthio)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-4-(trifluoromethylthio)aniline has 1 hydrogen bond donor(s) and 2 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 3-Chloro-4-(trifluoromethylthio)aniline?
The CAS number of 3-Chloro-4-(trifluoromethylthio)aniline is 64628-75-7.
What is the molecular formula of 3-Chloro-4-(trifluoromethylthio)aniline?
The molecular formula of 3-Chloro-4-(trifluoromethylthio)aniline is C7H5ClF3NS.
What is the molecular weight of 3-Chloro-4-(trifluoromethylthio)aniline?
The molecular weight of 3-Chloro-4-(trifluoromethylthio)aniline is 226.98 g/mol.
Where can I buy 3-Chloro-4-(trifluoromethylthio)aniline?
You can request a quote for 3-Chloro-4-(trifluoromethylthio)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-4-(trifluoromethylthio)aniline?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-4-(trifluoromethylthio)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.