3,5-bis(trifluoromethylsulfanyl)benzoic Acid
TL;DR: 3,5-bis(trifluoromethylsulfanyl)benzoic Acid (CAS 102117-40-8) is a chemical compound with molecular formula C9H4F6O2S2 and molecular weight 321.9557 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,5-bis(trifluoromethylsulfanyl)benzoic acid
Also Known As: 3,5-bis(trifluoromethylsulfanyl)benzoic Acid, 3,5-bis(trifluoromethylthio)benzoic acid, 3,5-BIS[(TRIFLUOROMETHYL)SULFANYL]BENZOIC ACID, Benzoic acid, 3,5-bis[(trifluoromethyl)thio]-, Benzoic acid,3,5-bis[(trifluoromethyl)thio]-
Technical Specifications
| Molecular Formula | C9H4F6O2S2 |
| Molecular Weight | 321.9557 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 87.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.9557 Da |
| Heavy Atoms | 19 |
| Complexity | 306.0 |
| SMILES | C1=C(C=C(C=C1SC(F)(F)F)SC(F)(F)F)C(=O)O |
| InChIKey | DURCDAJLTJWPKW-UHFFFAOYSA-N |
Chemical Property Profile of 3,5-bis(trifluoromethylsulfanyl)benzoic Acid
Property Insights of 3,5-bis(trifluoromethylsulfanyl)benzoic Acid
The XLogP value of 4.9 indicates that 3,5-bis(trifluoromethylsulfanyl)benzoic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-bis(trifluoromethylsulfanyl)benzoic Acid. Following Lipinski's Rule of Five, 3,5-bis(trifluoromethylsulfanyl)benzoic Acid has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3,5-bis(trifluoromethylsulfanyl)benzoic Acid?
The CAS number of 3,5-bis(trifluoromethylsulfanyl)benzoic Acid is 102117-40-8.
What is the molecular formula of 3,5-bis(trifluoromethylsulfanyl)benzoic Acid?
The molecular formula of 3,5-bis(trifluoromethylsulfanyl)benzoic Acid is C9H4F6O2S2.
What is the molecular weight of 3,5-bis(trifluoromethylsulfanyl)benzoic Acid?
The molecular weight of 3,5-bis(trifluoromethylsulfanyl)benzoic Acid is 321.9557 g/mol.
Where can I buy 3,5-bis(trifluoromethylsulfanyl)benzoic Acid?
You can request a quote for 3,5-bis(trifluoromethylsulfanyl)benzoic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,5-bis(trifluoromethylsulfanyl)benzoic Acid?
Yes, CoreyChem provides custom synthesis services for 3,5-bis(trifluoromethylsulfanyl)benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.