3,5-Bis(trifluoromethyl)benzenethiol
TL;DR: 3,5-Bis(trifluoromethyl)benzenethiol (CAS 130783-02-7) is a chemical compound with molecular formula C8H4F6S and molecular weight 245.99379 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,5-bis(trifluoromethyl)benzenethiol
Also Known As: 3,5-Bis(trifluoromethyl)benzenethiol, 3,5-Bis(trifluoromethyl)thiophenol, 3,5-bis(trifluoromethyl)benzene-1-thiol, 3608AD, Benzenethiol, 3,5-bis(trifluoromethyl)-
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H4F6S |
| Molecular Weight | 245.99379 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 245.99379 Da |
| Heavy Atoms | 15 |
| Complexity | 198.0 |
| SMILES | C1=C(C=C(C=C1C(F)(F)F)S)C(F)(F)F |
| InChIKey | KCAQWPZIMLLEAF-UHFFFAOYSA-N |
Chemical Property Profile of 3,5-Bis(trifluoromethyl)benzenethiol
Property Insights of 3,5-Bis(trifluoromethyl)benzenethiol
The XLogP value of 4.4 indicates that 3,5-Bis(trifluoromethyl)benzenethiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 1.0 Ų, 3,5-Bis(trifluoromethyl)benzenethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Bis(trifluoromethyl)benzenethiol has 1 hydrogen bond donor(s) and 7 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(trifluoromethyl)benzenethiol?
The CAS number of 3,5-Bis(trifluoromethyl)benzenethiol is 130783-02-7.
What is the molecular formula of 3,5-Bis(trifluoromethyl)benzenethiol?
The molecular formula of 3,5-Bis(trifluoromethyl)benzenethiol is C8H4F6S.
What is the molecular weight of 3,5-Bis(trifluoromethyl)benzenethiol?
The molecular weight of 3,5-Bis(trifluoromethyl)benzenethiol is 245.99379 g/mol.
Where can I buy 3,5-Bis(trifluoromethyl)benzenethiol?
You can request a quote for 3,5-Bis(trifluoromethyl)benzenethiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,5-Bis(trifluoromethyl)benzenethiol?
Yes, CoreyChem provides custom synthesis services for 3,5-Bis(trifluoromethyl)benzenethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.