Benzyl 2,2,2-trifluoroethyl sulfide
TL;DR: Benzyl 2,2,2-trifluoroethyl sulfide (CAS 77745-03-0) is a chemical compound with molecular formula C9H9F3S and molecular weight 206.0377 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2,2-trifluoroethylsulfanylmethylbenzene
Also Known As: Benzyl 2,2,2-trifluoroethyl sulfide, 2,2,2-trifluoroethylsulfanylmethylbenzene, Benzyl 2,2,2-trifluoroethyl sulphide, benzyl trifluoroethyl thioether, 2,2,2-Trifluoroethylbenzyl sulfide
Technical Specifications
| Molecular Formula | C9H9F3S |
| Molecular Weight | 206.0377 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 206.0377 Da |
| Heavy Atoms | 13 |
| Complexity | 138.0 |
| SMILES | C1=CC=C(C=C1)CSCC(F)(F)F |
| InChIKey | ZDVBYNCJCIYCFO-UHFFFAOYSA-N |
Chemical Property Profile of Benzyl 2,2,2-trifluoroethyl sulfide
Property Insights of Benzyl 2,2,2-trifluoroethyl sulfide
The XLogP value of 3.5 indicates that Benzyl 2,2,2-trifluoroethyl 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, Benzyl 2,2,2-trifluoroethyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 2,2,2-trifluoroethyl 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 Benzyl 2,2,2-trifluoroethyl sulfide?
The CAS number of Benzyl 2,2,2-trifluoroethyl sulfide is 77745-03-0.
What is the molecular formula of Benzyl 2,2,2-trifluoroethyl sulfide?
The molecular formula of Benzyl 2,2,2-trifluoroethyl sulfide is C9H9F3S.
What is the molecular weight of Benzyl 2,2,2-trifluoroethyl sulfide?
The molecular weight of Benzyl 2,2,2-trifluoroethyl sulfide is 206.0377 g/mol.
Where can I buy Benzyl 2,2,2-trifluoroethyl sulfide?
You can request a quote for Benzyl 2,2,2-trifluoroethyl sulfide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzyl 2,2,2-trifluoroethyl sulfide?
Yes, CoreyChem provides custom synthesis services for Benzyl 2,2,2-trifluoroethyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.