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1-[(2-Chloroethyl)sulfanyl]-3-(trifluoromethyl)benzene
TL;DR: 1-[(2-Chloroethyl)sulfanyl]-3-(trifluoromethyl)benzene (CAS 448967-32-6) is a chemical compound with molecular formula C9H8ClF3S and molecular weight 240.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethylsulfanyl)-3-(trifluoromethyl)benzene
Also Known As: 1-[(2-chloroethyl)sulfanyl]-3-(trifluoromethyl)benzene, 1-[(2-chloroethyl)thio]-3-(trifluoromethyl)benzene, 1-(2-chloroethylsulfanyl)-3-(trifluoromethyl)benzene, C9H8ClF3S
| Molecular Formula | C9H8ClF3S |
|---|---|
| Molecular Weight | 240.00 g/mol |
| LogP | 4.0363 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 239.99873 |
| Heavy Atoms | 14 |
| Complexity | 298.3537 |
Chemical Identifiers
| CAS Number | 448967-32-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)SCCCl)C(F)(F)F |
Product Overview
1-[(2-Chloroethyl)sulfanyl]-3-(trifluoromethyl)benzene (CAS 448967-32-6), with molecular formula C9H8ClF3S and molecular weight 240.00 g/mol. IUPAC: 1-(2-chloroethylsulfanyl)-3-(trifluoromethyl)benzene.
Chemical Property Profile of 1-[(2-Chloroethyl)sulfanyl]-3-(trifluoromethyl)benzene
Property Insights of 1-[(2-Chloroethyl)sulfanyl]-3-(trifluoromethyl)benzene
The XLogP value of 4.0363 indicates that 1-[(2-Chloroethyl)sulfanyl]-3-(trifluoromethyl)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-[(2-Chloroethyl)sulfanyl]-3-(trifluoromethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(2-Chloroethyl)sulfanyl]-3-(trifluoromethyl)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-[(2-Chloroethyl)sulfanyl]-3-(trifluoromethyl)benzene?
The CAS number of 1-[(2-Chloroethyl)sulfanyl]-3-(trifluoromethyl)benzene is 448967-32-6.
What is the molecular formula of 1-[(2-Chloroethyl)sulfanyl]-3-(trifluoromethyl)benzene?
The molecular formula of 1-[(2-Chloroethyl)sulfanyl]-3-(trifluoromethyl)benzene is C9H8ClF3S.
What is the molecular weight of 1-[(2-Chloroethyl)sulfanyl]-3-(trifluoromethyl)benzene?
The molecular weight of 1-[(2-Chloroethyl)sulfanyl]-3-(trifluoromethyl)benzene is 240.00 g/mol.
Where can I buy 1-[(2-Chloroethyl)sulfanyl]-3-(trifluoromethyl)benzene?
You can request a quote for 1-[(2-Chloroethyl)sulfanyl]-3-(trifluoromethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(2-Chloroethyl)sulfanyl]-3-(trifluoromethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-[(2-Chloroethyl)sulfanyl]-3-(trifluoromethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.