4-(Trifluoromethylthio)toluene
TL;DR: 4-(Trifluoromethylthio)toluene (CAS 352-68-1) is a chemical compound with molecular formula C8H7F3S and molecular weight 192.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-(trifluoromethylsulfanyl)benzene
Also Known As: 4-(trifluoromethylthio)toluene, 2-Phthalimidoethylacetate, 1-methyl-4-(trifluoromethylsulfanyl)benzene, 4-trifluoromethylthiotoluene, p-tolyl(trifluoromethyl)sulfane
| Molecular Formula | C8H7F3S |
|---|---|
| Molecular Weight | 192.02 g/mol |
| LogP | 3.60692 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 192.02205 |
| Heavy Atoms | 12 |
| Complexity | 250.00064 |
Chemical Identifiers
| CAS Number | 352-68-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC(F)(F)F |
Product Overview
4-(Trifluoromethylthio)toluene (CAS 352-68-1), with molecular formula C8H7F3S and molecular weight 192.02 g/mol. IUPAC: 1-methyl-4-(trifluoromethylsulfanyl)benzene.
Chemical Property Profile of 4-(Trifluoromethylthio)toluene
Property Insights of 4-(Trifluoromethylthio)toluene
The XLogP value of 3.60692 indicates that 4-(Trifluoromethylthio)toluene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 4-(Trifluoromethylthio)toluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Trifluoromethylthio)toluene 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 4-(Trifluoromethylthio)toluene?
The CAS number of 4-(Trifluoromethylthio)toluene is 352-68-1.
What is the molecular formula of 4-(Trifluoromethylthio)toluene?
The molecular formula of 4-(Trifluoromethylthio)toluene is C8H7F3S.
What is the molecular weight of 4-(Trifluoromethylthio)toluene?
The molecular weight of 4-(Trifluoromethylthio)toluene is 192.02 g/mol.
Where can I buy 4-(Trifluoromethylthio)toluene?
You can request a quote for 4-(Trifluoromethylthio)toluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Trifluoromethylthio)toluene?
Yes, KEHONG BIO provides custom synthesis services for 4-(Trifluoromethylthio)toluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.