5-(Trifluoromethyl)dibenzothiophen-5-ium
TL;DR: 5-(Trifluoromethyl)dibenzothiophen-5-ium (CAS 129946-87-8) is a chemical compound with molecular formula C13H8F3S+ and molecular weight 253.02988 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(trifluoromethyl)dibenzothiophen-5-ium
Also Known As: 5-(trifluoromethyl)dibenzothiophen-5-ium, 5-Trifluoromethyldibenzothiophene-5-ium, 9-(Trifluoromethyl)-9-thionia-9H-fluorene, 9-Trifluoromethyl-9-thia-9H-fluorene-9-ium, 9-(Trifluoromethyl)-9-thia-9H-fluorene-9-ium
Technical Specifications
| Molecular Formula | C13H8F3S+ |
| Molecular Weight | 253.02988 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 1.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 253.02988 Da |
| Heavy Atoms | 17 |
| Complexity | 267.0 |
| SMILES | C1=CC=C2C(=C1)C3=CC=CC=C3[S+]2C(F)(F)F |
| InChIKey | UVFIXEGOSUKAPD-UHFFFAOYSA-N |
Chemical Property Profile of 5-(Trifluoromethyl)dibenzothiophen-5-ium
Property Insights of 5-(Trifluoromethyl)dibenzothiophen-5-ium
The XLogP value of 4.9 indicates that 5-(Trifluoromethyl)dibenzothiophen-5-ium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 1.0 Ų, 5-(Trifluoromethyl)dibenzothiophen-5-ium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(Trifluoromethyl)dibenzothiophen-5-ium 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
What is the CAS number of 5-(Trifluoromethyl)dibenzothiophen-5-ium?
The CAS number of 5-(Trifluoromethyl)dibenzothiophen-5-ium is 129946-87-8.
What is the molecular formula of 5-(Trifluoromethyl)dibenzothiophen-5-ium?
The molecular formula of 5-(Trifluoromethyl)dibenzothiophen-5-ium is C13H8F3S+.
What is the molecular weight of 5-(Trifluoromethyl)dibenzothiophen-5-ium?
The molecular weight of 5-(Trifluoromethyl)dibenzothiophen-5-ium is 253.02988 g/mol.
Where can I buy 5-(Trifluoromethyl)dibenzothiophen-5-ium?
You can request a quote for 5-(Trifluoromethyl)dibenzothiophen-5-ium directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(Trifluoromethyl)dibenzothiophen-5-ium?
Yes, CoreyChem provides custom synthesis services for 5-(Trifluoromethyl)dibenzothiophen-5-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.