Tris(trifluoromethylthio)methane
TL;DR: Tris(trifluoromethylthio)methane (CAS 691-69-0) is a chemical compound with molecular formula C4HF9S3 and molecular weight 315.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(trifluoromethylsulfanyl)methylsulfanyl-trifluoromethane
Also Known As: Tris(trifluoromethylthio)methane, bis(trifluoromethylsulfanyl)methylsulfanyl-trifluoromethane, ((Bis[(trifluoromethyl)sulfanyl]methyl)sulfanyl)(trifluoro)methane #
| Molecular Formula | C4HF9S3 |
|---|---|
| Molecular Weight | 315.91 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 75.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.90967 |
| Heavy Atoms | 16 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 691-69-0 |
|---|---|
| SMILES | C(SC(F)(F)F)(SC(F)(F)F)SC(F)(F)F |
| InChIKey | KYKCEVASXWTPMS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tris(trifluoromethylthio)methane (CAS 691-69-0), with molecular formula C4HF9S3 and molecular weight 315.91 g/mol. IUPAC: bis(trifluoromethylsulfanyl)methylsulfanyl-trifluoromethane.
Chemical Property Profile of Tris(trifluoromethylthio)methane
Property Insights of Tris(trifluoromethylthio)methane
The XLogP value of 6.1 indicates that Tris(trifluoromethylthio)methane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Tris(trifluoromethylthio)methane. Following Lipinski's Rule of Five, Tris(trifluoromethylthio)methane has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tris(trifluoromethylthio)methane?
The CAS number of Tris(trifluoromethylthio)methane is 691-69-0.
What is the molecular formula of Tris(trifluoromethylthio)methane?
The molecular formula of Tris(trifluoromethylthio)methane is C4HF9S3.
What is the molecular weight of Tris(trifluoromethylthio)methane?
The molecular weight of Tris(trifluoromethylthio)methane is 315.91 g/mol.
Where can I buy Tris(trifluoromethylthio)methane?
You can request a quote for Tris(trifluoromethylthio)methane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tris(trifluoromethylthio)methane?
Yes, KEHONG BIO provides custom synthesis services for Tris(trifluoromethylthio)methane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.