![[(1-Chloro-2,2,2-trifluoroethyl)sulfanyl]benzene structure](/static/products/1149/114953-71-8.webp)
[(1-Chloro-2,2,2-trifluoroethyl)sulfanyl]benzene
TL;DR: [(1-Chloro-2,2,2-trifluoroethyl)sulfanyl]benzene (CAS 114953-71-8) 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-chloro-2,2,2-trifluoroethyl)sulfanylbenzene
Also Known As: [(1-chloro-2,2,2-trifluoroethyl)sulfanyl]benzene|[(1-chloro-2,2,2-trifluoroethyl)thio]benzene|(1-Chloro-2,2,2-trifluoroethyl)(phenyl)sulfane|1-Chloro-2,2,2-trifluoro-1-phenylthioethane|(1-chloro-2,2,2-trifluoro-ethyl)sulfanylbenzene|(1-chloro-2,2,2-trifluoroethyl)sulfanylbenzene|EN300-11968
| Molecular Formula | C8H6ClF3S |
|---|---|
| Molecular Weight | 225.98 g/mol |
| LogP | 3.9059 |
| 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 | 259.8417 |
Chemical Identifiers
| CAS Number | 114953-71-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC(C(F)(F)F)Cl |
Product Overview
[(1-Chloro-2,2,2-trifluoroethyl)sulfanyl]benzene (CAS 114953-71-8), with molecular formula C8H6ClF3S and molecular weight 225.98 g/mol. IUPAC: (1-chloro-2,2,2-trifluoroethyl)sulfanylbenzene.
Chemical Property Profile of [(1-Chloro-2,2,2-trifluoroethyl)sulfanyl]benzene
Property Insights of [(1-Chloro-2,2,2-trifluoroethyl)sulfanyl]benzene
The XLogP value of 3.9059 indicates that [(1-Chloro-2,2,2-trifluoroethyl)sulfanyl]benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, [(1-Chloro-2,2,2-trifluoroethyl)sulfanyl]benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(1-Chloro-2,2,2-trifluoroethyl)sulfanyl]benzene 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 [(1-Chloro-2,2,2-trifluoroethyl)sulfanyl]benzene?
The CAS number of [(1-Chloro-2,2,2-trifluoroethyl)sulfanyl]benzene is 114953-71-8.
What is the molecular formula of [(1-Chloro-2,2,2-trifluoroethyl)sulfanyl]benzene?
The molecular formula of [(1-Chloro-2,2,2-trifluoroethyl)sulfanyl]benzene is C8H6ClF3S.
What is the molecular weight of [(1-Chloro-2,2,2-trifluoroethyl)sulfanyl]benzene?
The molecular weight of [(1-Chloro-2,2,2-trifluoroethyl)sulfanyl]benzene is 225.98 g/mol.
Where can I buy [(1-Chloro-2,2,2-trifluoroethyl)sulfanyl]benzene?
You can request a quote for [(1-Chloro-2,2,2-trifluoroethyl)sulfanyl]benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(1-Chloro-2,2,2-trifluoroethyl)sulfanyl]benzene?
Yes, KEHONG BIO provides custom synthesis services for [(1-Chloro-2,2,2-trifluoroethyl)sulfanyl]benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.