Benzyl trifluoromethyl sulfide
TL;DR: Benzyl trifluoromethyl sulfide (CAS 5329-59-9) is a chemical compound with molecular formula C8H7F3S and molecular weight 192.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trifluoromethylsulfanylmethylbenzene
Also Known As: BENZYL TRIFLUOROMETHYL SULFIDE, Trifluoromethylsulfanylmethylbenzene, benzyl(trifluoromethyl)sulfane, Trifluoromethyl benzyl sulfide, (trifluoromethylthio)methylbenzene
| Molecular Formula | C8H7F3S |
|---|---|
| Molecular Weight | 192.02 g/mol |
| LogP | 3.4396 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 192.02205 |
| Heavy Atoms | 12 |
| Complexity | 229.80833 |
Chemical Identifiers
| CAS Number | 5329-59-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC(F)(F)F |
Product Overview
Benzyl trifluoromethyl sulfide (CAS 5329-59-9), with molecular formula C8H7F3S and molecular weight 192.02 g/mol. IUPAC: trifluoromethylsulfanylmethylbenzene.
Chemical Property Profile of Benzyl trifluoromethyl sulfide
Property Insights of Benzyl trifluoromethyl sulfide
The XLogP value of 3.4396 indicates that Benzyl trifluoromethyl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Benzyl trifluoromethyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl trifluoromethyl sulfide has 0 hydrogen bond donor(s) and 1 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 Benzyl trifluoromethyl sulfide?
The CAS number of Benzyl trifluoromethyl sulfide is 5329-59-9.
What is the molecular formula of Benzyl trifluoromethyl sulfide?
The molecular formula of Benzyl trifluoromethyl sulfide is C8H7F3S.
What is the molecular weight of Benzyl trifluoromethyl sulfide?
The molecular weight of Benzyl trifluoromethyl sulfide is 192.02 g/mol.
Where can I buy Benzyl trifluoromethyl sulfide?
You can request a quote for Benzyl trifluoromethyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl trifluoromethyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for Benzyl trifluoromethyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.