5-(Trifluoromethyl)dibenzothiophen-5-ium-3-sulfonate
TL;DR: 5-(Trifluoromethyl)dibenzothiophen-5-ium-3-sulfonate (CAS 160656-62-2) is a chemical compound with molecular formula C13H7F3O3S2 and molecular weight 331.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(trifluoromethyl)dibenzothiophen-5-ium-3-sulfonate
Also Known As: S-(Trifluoromethyl)dibenzothiophenium-3-sulfonate, 5-(trifluoromethyl)dibenzothiophen-5-ium-3-sulfonate, s-(trifluoromethyl)dibenzothiophenium-3-sulphonate, s-(trifluoromethyl)dibenzothiophenium 3-sulfonate, 5-(Trifluoromethyl)-5H-dibenzo[b,d]thiophen-5-ium-3-sulfonate
| Molecular Formula | C13H7F3O3S2 |
|---|---|
| Molecular Weight | 331.98 g/mol |
| LogP | 4.1225 |
| Topological Polar Surface Area | 57.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 331.97888 |
| Heavy Atoms | 21 |
| Complexity | 955.85187 |
Chemical Identifiers
| CAS Number | 160656-62-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C([S+]2C(F)(F)F)C=C(C=C3)S(=O)(=O)[O-] |
Product Overview
5-(Trifluoromethyl)dibenzothiophen-5-ium-3-sulfonate (CAS 160656-62-2), with molecular formula C13H7F3O3S2 and molecular weight 331.98 g/mol. IUPAC: 5-(trifluoromethyl)dibenzothiophen-5-ium-3-sulfonate.
Chemical Property Profile of 5-(Trifluoromethyl)dibenzothiophen-5-ium-3-sulfonate
Property Insights of 5-(Trifluoromethyl)dibenzothiophen-5-ium-3-sulfonate
The XLogP value of 4.1225 indicates that 5-(Trifluoromethyl)dibenzothiophen-5-ium-3-sulfonate 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)dibenzothiophen-5-ium-3-sulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(Trifluoromethyl)dibenzothiophen-5-ium-3-sulfonate has 0 hydrogen bond donor(s) and 3 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 5-(Trifluoromethyl)dibenzothiophen-5-ium-3-sulfonate?
The CAS number of 5-(Trifluoromethyl)dibenzothiophen-5-ium-3-sulfonate is 160656-62-2.
What is the molecular formula of 5-(Trifluoromethyl)dibenzothiophen-5-ium-3-sulfonate?
The molecular formula of 5-(Trifluoromethyl)dibenzothiophen-5-ium-3-sulfonate is C13H7F3O3S2.
What is the molecular weight of 5-(Trifluoromethyl)dibenzothiophen-5-ium-3-sulfonate?
The molecular weight of 5-(Trifluoromethyl)dibenzothiophen-5-ium-3-sulfonate is 331.98 g/mol.
Where can I buy 5-(Trifluoromethyl)dibenzothiophen-5-ium-3-sulfonate?
You can request a quote for 5-(Trifluoromethyl)dibenzothiophen-5-ium-3-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Trifluoromethyl)dibenzothiophen-5-ium-3-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 5-(Trifluoromethyl)dibenzothiophen-5-ium-3-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.