5-(Trifluoromethyl)dibenzothiophenium trifluoromethanesulfonate
TL;DR: 5-(Trifluoromethyl)dibenzothiophenium trifluoromethanesulfonate (CAS 64584-32-3) is a chemical compound with molecular formula C14H8F6O3S2 and molecular weight 401.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trifluoromethanesulfonate;5-(trifluoromethyl)dibenzothiophen-5-ium
Also Known As: S-(Trifluoromethyl)dibenzothiophenium trifluoromethanesulfonate, 5-(Trifluoromethyl)-5H-dibenzo[b,d]thiophen-5-ium trifluoromethanesulfonate, 5-(Trifluoromethyl)dibenzothiophenium trifluoromethanesulfonate, S-(Trifluoromethyl)dibenzothiophenium triflate, 5519AA
| Molecular Formula | C14H8F6O3S2 |
|---|---|
| Molecular Weight | 401.98 g/mol |
| LogP | 5.2698 |
| Topological Polar Surface Area | 57.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 401.9819 |
| Heavy Atoms | 25 |
| Complexity | 949.48737 |
Chemical Identifiers
| CAS Number | 64584-32-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=CC=CC=C3[S+]2C(F)(F)F.C(F)(F)(F)S(=O)(=O)[O-] |
Product Overview
5-(Trifluoromethyl)dibenzothiophenium trifluoromethanesulfonate (CAS 64584-32-3), with molecular formula C14H8F6O3S2 and molecular weight 401.98 g/mol. IUPAC: trifluoromethanesulfonate;5-(trifluoromethyl)dibenzothiophen-5-ium.
Chemical Property Profile of 5-(Trifluoromethyl)dibenzothiophenium trifluoromethanesulfonate
Property Insights of 5-(Trifluoromethyl)dibenzothiophenium trifluoromethanesulfonate
The XLogP value of 5.2698 indicates that 5-(Trifluoromethyl)dibenzothiophenium trifluoromethanesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.2 Ų, 5-(Trifluoromethyl)dibenzothiophenium trifluoromethanesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(Trifluoromethyl)dibenzothiophenium trifluoromethanesulfonate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(Trifluoromethyl)dibenzothiophenium trifluoromethanesulfonate?
The CAS number of 5-(Trifluoromethyl)dibenzothiophenium trifluoromethanesulfonate is 64584-32-3.
What is the molecular formula of 5-(Trifluoromethyl)dibenzothiophenium trifluoromethanesulfonate?
The molecular formula of 5-(Trifluoromethyl)dibenzothiophenium trifluoromethanesulfonate is C14H8F6O3S2.
What is the molecular weight of 5-(Trifluoromethyl)dibenzothiophenium trifluoromethanesulfonate?
The molecular weight of 5-(Trifluoromethyl)dibenzothiophenium trifluoromethanesulfonate is 401.98 g/mol.
Where can I buy 5-(Trifluoromethyl)dibenzothiophenium trifluoromethanesulfonate?
You can request a quote for 5-(Trifluoromethyl)dibenzothiophenium trifluoromethanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Trifluoromethyl)dibenzothiophenium trifluoromethanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 5-(Trifluoromethyl)dibenzothiophenium trifluoromethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.