3-(Trifluoromethylthio)benzyl chloride
TL;DR: 3-(Trifluoromethylthio)benzyl chloride (CAS 215732-90-4) is a chemical compound with molecular formula C8H6ClF3S and molecular weight 225.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(chloromethyl)-3-(trifluoromethylsulfanyl)benzene
Also Known As: 3-(Trifluoromethylthio)benzyl chloride, 3- BENZYLCHLORIDE, 1-(chloromethyl)-3-(trifluoromethylsulfanyl)benzene, 3-(Trifluoromethylthio)benzylchloride, 1-(chloromethyl)-3-[(trifluoromethyl)sulfanyl]benzene
| Molecular Formula | C8H6ClF3S |
|---|---|
| Molecular Weight | 225.98 g/mol |
| LogP | 4.0373 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 225.98308 |
| Heavy Atoms | 13 |
| Complexity | 284.96277 |
Chemical Identifiers
| CAS Number | 215732-90-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)SC(F)(F)F)CCl |
Product Overview
3-(Trifluoromethylthio)benzyl chloride (CAS 215732-90-4), with molecular formula C8H6ClF3S and molecular weight 225.98 g/mol. IUPAC: 1-(chloromethyl)-3-(trifluoromethylsulfanyl)benzene.
Chemical Property Profile of 3-(Trifluoromethylthio)benzyl chloride
Property Insights of 3-(Trifluoromethylthio)benzyl chloride
The XLogP value of 4.0373 indicates that 3-(Trifluoromethylthio)benzyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3-(Trifluoromethylthio)benzyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Trifluoromethylthio)benzyl chloride has 0 hydrogen bond donor(s) and 1 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-(Trifluoromethylthio)benzyl chloride?
The CAS number of 3-(Trifluoromethylthio)benzyl chloride is 215732-90-4.
What is the molecular formula of 3-(Trifluoromethylthio)benzyl chloride?
The molecular formula of 3-(Trifluoromethylthio)benzyl chloride is C8H6ClF3S.
What is the molecular weight of 3-(Trifluoromethylthio)benzyl chloride?
The molecular weight of 3-(Trifluoromethylthio)benzyl chloride is 225.98 g/mol.
Where can I buy 3-(Trifluoromethylthio)benzyl chloride?
You can request a quote for 3-(Trifluoromethylthio)benzyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Trifluoromethylthio)benzyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 3-(Trifluoromethylthio)benzyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.