![1-[(1-Chloro-2,2,2-trifluoroethyl)thio]-4-methylbenzene structure](/static/products/2840/284031-80-7.webp)
1-[(1-Chloro-2,2,2-trifluoroethyl)thio]-4-methylbenzene
TL;DR: 1-[(1-Chloro-2,2,2-trifluoroethyl)thio]-4-methylbenzene (CAS 284031-80-7) 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-(1-chloro-2,2,2-trifluoroethyl)sulfanyl-4-methylbenzene
Also Known As: 1-[(1-chloro-2,2,2-trifluoroethyl)thio]-4-methylbenzene, 1-[(1-chloro-2,2,2-trifluoroethyl)sulfanyl]-4-methylbenzene, J1.300.067K, 4-(1-Chloro-2,2,2-trifluoroethylthio)toluene, (1-Chloro-2,2,2-trifluoroethyl)(p-tolyl)sulfane
| Molecular Formula | C9H8ClF3S |
|---|---|
| Molecular Weight | 240.00 g/mol |
| LogP | 4.21432 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.99873 |
| Heavy Atoms | 14 |
| Complexity | 293.92053 |
Chemical Identifiers
| CAS Number | 284031-80-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC(C(F)(F)F)Cl |
Product Overview
1-[(1-Chloro-2,2,2-trifluoroethyl)thio]-4-methylbenzene (CAS 284031-80-7), with molecular formula C9H8ClF3S and molecular weight 240.00 g/mol. IUPAC: 1-(1-chloro-2,2,2-trifluoroethyl)sulfanyl-4-methylbenzene.
Chemical Property Profile of 1-[(1-Chloro-2,2,2-trifluoroethyl)thio]-4-methylbenzene
Property Insights of 1-[(1-Chloro-2,2,2-trifluoroethyl)thio]-4-methylbenzene
The XLogP value of 4.21432 indicates that 1-[(1-Chloro-2,2,2-trifluoroethyl)thio]-4-methylbenzene 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-[(1-Chloro-2,2,2-trifluoroethyl)thio]-4-methylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(1-Chloro-2,2,2-trifluoroethyl)thio]-4-methylbenzene 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-[(1-Chloro-2,2,2-trifluoroethyl)thio]-4-methylbenzene?
The CAS number of 1-[(1-Chloro-2,2,2-trifluoroethyl)thio]-4-methylbenzene is 284031-80-7.
What is the molecular formula of 1-[(1-Chloro-2,2,2-trifluoroethyl)thio]-4-methylbenzene?
The molecular formula of 1-[(1-Chloro-2,2,2-trifluoroethyl)thio]-4-methylbenzene is C9H8ClF3S.
What is the molecular weight of 1-[(1-Chloro-2,2,2-trifluoroethyl)thio]-4-methylbenzene?
The molecular weight of 1-[(1-Chloro-2,2,2-trifluoroethyl)thio]-4-methylbenzene is 240.00 g/mol.
Where can I buy 1-[(1-Chloro-2,2,2-trifluoroethyl)thio]-4-methylbenzene?
You can request a quote for 1-[(1-Chloro-2,2,2-trifluoroethyl)thio]-4-methylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(1-Chloro-2,2,2-trifluoroethyl)thio]-4-methylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-[(1-Chloro-2,2,2-trifluoroethyl)thio]-4-methylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.