Hexafluorothioacetone dimer
TL;DR: Hexafluorothioacetone dimer (CAS 791-50-4) is a chemical compound with molecular formula C6F12S2 and molecular weight 363.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,4,4-tetrakis(trifluoromethyl)-1,3-dithietane
Also Known As: 2,2,4,4-tetrakis(trifluoromethyl)-1,3-dithietane, Hexafluorothioacetone dimer, tetrakis(trifluoromethyl)-1,3-dithietane, 2,2,4,4-Tetra(trifluoromethyl)-1,3-dithiacyclobutane, 1,3-Dithietane, 2,2,4,4-tetrakis(trifluoromethyl)-
| Molecular Formula | C6F12S2 |
|---|---|
| Molecular Weight | 363.93 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 0 |
| Exact Mass | 363.925 |
| Heavy Atoms | 20 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 791-50-4 |
|---|---|
| SMILES | C1(SC(S1)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F |
| InChIKey | QKKBOQYIHOYXKK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexafluorothioacetone dimer (CAS 791-50-4), with molecular formula C6F12S2 and molecular weight 363.93 g/mol. IUPAC: 2,2,4,4-tetrakis(trifluoromethyl)-1,3-dithietane.
Chemical Property Profile of Hexafluorothioacetone dimer
Property Insights of Hexafluorothioacetone dimer
The XLogP value of 5.7 indicates that Hexafluorothioacetone dimer is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, Hexafluorothioacetone dimer exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexafluorothioacetone dimer has 0 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hexafluorothioacetone dimer?
The CAS number of Hexafluorothioacetone dimer is 791-50-4.
What is the molecular formula of Hexafluorothioacetone dimer?
The molecular formula of Hexafluorothioacetone dimer is C6F12S2.
What is the molecular weight of Hexafluorothioacetone dimer?
The molecular weight of Hexafluorothioacetone dimer is 363.93 g/mol.
Where can I buy Hexafluorothioacetone dimer?
You can request a quote for Hexafluorothioacetone dimer directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexafluorothioacetone dimer?
Yes, KEHONG BIO provides custom synthesis services for Hexafluorothioacetone dimer and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.