Propargyl trifluoromethyl sulfide
TL;DR: Propargyl trifluoromethyl sulfide (CAS 114861-63-1) is a chemical compound with molecular formula C4H3F3S and molecular weight 139.99075 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(trifluoromethylsulfanyl)prop-1-yne
Also Known As: 3-(trifluoromethylthio)-1-propyne, propargyl trifluoromethyl sulfide, 3-(trifluoromethylsulfanyl)prop-1-yne, 3-[(trifluoromethyl)sulfanyl]prop-1-yne, J3.800.059D
Technical Specifications
| Molecular Formula | C4H3F3S |
| Molecular Weight | 139.99075 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 139.99075 Da |
| Heavy Atoms | 8 |
| Complexity | 106.0 |
| SMILES | C#CCSC(F)(F)F |
| InChIKey | WOUJLWXHEPIWGG-UHFFFAOYSA-N |
Chemical Property Profile of Propargyl trifluoromethyl sulfide
Property Insights of Propargyl trifluoromethyl sulfide
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propargyl trifluoromethyl sulfide. With a topological polar surface area (TPSA) of 25.3 Ų, Propargyl trifluoromethyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propargyl 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
What is the CAS number of Propargyl trifluoromethyl sulfide?
The CAS number of Propargyl trifluoromethyl sulfide is 114861-63-1.
What is the molecular formula of Propargyl trifluoromethyl sulfide?
The molecular formula of Propargyl trifluoromethyl sulfide is C4H3F3S.
What is the molecular weight of Propargyl trifluoromethyl sulfide?
The molecular weight of Propargyl trifluoromethyl sulfide is 139.99075 g/mol.
Where can I buy Propargyl trifluoromethyl sulfide?
You can request a quote for Propargyl trifluoromethyl sulfide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Propargyl trifluoromethyl sulfide?
Yes, CoreyChem provides custom synthesis services for Propargyl trifluoromethyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.