Methyl(trifluoromethyl) sulfide
TL;DR: Methyl(trifluoromethyl) sulfide (CAS 421-16-9) is a chemical compound with molecular formula CSC(F)(F)F and molecular weight 115.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trifluoro(methylsulfanyl)methane
Also Known As: Methyl(trifluoromethyl) sulfide, trifluoro(methylsulfanyl)methane, Trifluoromethylmethyl sulfide, Trifluoromethyl(methyl) sulfide, RefChem:356944
| Molecular Formula | CSC(F)(F)F |
|---|---|
| Molecular Weight | 115.99 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 115.99075 |
| Heavy Atoms | 6 |
| Complexity | 38.0 |
Chemical Identifiers
| CAS Number | 421-16-9 |
|---|---|
| SMILES | CSC(F)(F)F |
| InChIKey | VRSDIWXVAUOVEA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl(trifluoromethyl) sulfide (CAS 421-16-9), with molecular formula CSC(F)(F)F and molecular weight 115.99 g/mol. IUPAC: trifluoro(methylsulfanyl)methane.
Chemical Property Profile of Methyl(trifluoromethyl) sulfide
Property Insights of Methyl(trifluoromethyl) sulfide
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl(trifluoromethyl) sulfide. With a topological polar surface area (TPSA) of 25.3 Ų, Methyl(trifluoromethyl) sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl(trifluoromethyl) 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 Methyl(trifluoromethyl) sulfide?
The CAS number of Methyl(trifluoromethyl) sulfide is 421-16-9.
What is the molecular formula of Methyl(trifluoromethyl) sulfide?
The molecular formula of Methyl(trifluoromethyl) sulfide is CSC(F)(F)F.
What is the molecular weight of Methyl(trifluoromethyl) sulfide?
The molecular weight of Methyl(trifluoromethyl) sulfide is 115.99 g/mol.
Where can I buy Methyl(trifluoromethyl) sulfide?
You can request a quote for Methyl(trifluoromethyl) sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl(trifluoromethyl) sulfide?
Yes, KEHONG BIO provides custom synthesis services for Methyl(trifluoromethyl) sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.