Trifluoromethyl t-butyl sulfide
TL;DR: Trifluoromethyl t-butyl sulfide (CAS 2708-84-1) is a chemical compound with molecular formula C5H9F3S and molecular weight 158.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-2-(trifluoromethylsulfanyl)propane
Also Known As: Trifluoromethyl t-butyl sulfide, (Trifluoromethyl)tert-butyl sulfide, tert-Butyl(trifluoromethyl) sulfide, tert-Butyl trifluoromethyl sulfide #, 2-methyl-2-[(trifluoromethyl)thio]propane
| Molecular Formula | C5H9F3S |
|---|---|
| Molecular Weight | 158.04 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 158.0377 |
| Heavy Atoms | 9 |
| Complexity | 89.0 |
Chemical Identifiers
| CAS Number | 2708-84-1 |
|---|---|
| SMILES | CC(C)(C)SC(F)(F)F |
| InChIKey | UXGNHEFACXYVQZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Trifluoromethyl t-butyl sulfide (CAS 2708-84-1), with molecular formula C5H9F3S and molecular weight 158.04 g/mol. IUPAC: 2-methyl-2-(trifluoromethylsulfanyl)propane.
Chemical Property Profile of Trifluoromethyl t-butyl sulfide
Property Insights of Trifluoromethyl t-butyl sulfide
The XLogP value of 3.1 indicates that Trifluoromethyl t-butyl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, Trifluoromethyl t-butyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trifluoromethyl t-butyl sulfide has 0 hydrogen bond donor(s) and 4 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 Trifluoromethyl t-butyl sulfide?
The CAS number of Trifluoromethyl t-butyl sulfide is 2708-84-1.
What is the molecular formula of Trifluoromethyl t-butyl sulfide?
The molecular formula of Trifluoromethyl t-butyl sulfide is C5H9F3S.
What is the molecular weight of Trifluoromethyl t-butyl sulfide?
The molecular weight of Trifluoromethyl t-butyl sulfide is 158.04 g/mol.
Where can I buy Trifluoromethyl t-butyl sulfide?
You can request a quote for Trifluoromethyl t-butyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trifluoromethyl t-butyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for Trifluoromethyl t-butyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.