![{[(Trifluoromethyl)thio]ethynyl}benzene structure](/static/products/2002/2002-89-3.webp)
{[(Trifluoromethyl)thio]ethynyl}benzene
TL;DR: {[(Trifluoromethyl)thio]ethynyl}benzene (CAS 2002-89-3) is a chemical compound with molecular formula C9H5F3S and molecular weight 202.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(trifluoromethylsulfanyl)ethynylbenzene
Also Known As: {[(trifluoromethyl)thio]ethynyl}benzene, Trifluoromethylthioethynylbenzene, 2-(trifluoromethylsulfanyl)ethynylbenzene, Phenylethynyl(trifluoromethyl) sulfide, 1-(Trifluoromethylthio)-2-phenylethyne
| Molecular Formula | C9H5F3S |
|---|---|
| Molecular Weight | 202.01 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 202.00641 |
| Heavy Atoms | 13 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 2002-89-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C#CSC(F)(F)F |
| InChIKey | XMGKHJYSXPUKNW-UHFFFAOYSA-N |
Product Overview
{[(Trifluoromethyl)thio]ethynyl}benzene (CAS 2002-89-3), with molecular formula C9H5F3S and molecular weight 202.01 g/mol. IUPAC: 2-(trifluoromethylsulfanyl)ethynylbenzene.
Chemical Property Profile of {[(Trifluoromethyl)thio]ethynyl}benzene
Property Insights of {[(Trifluoromethyl)thio]ethynyl}benzene
The XLogP value of 4.2 indicates that {[(Trifluoromethyl)thio]ethynyl}benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, {[(Trifluoromethyl)thio]ethynyl}benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, {[(Trifluoromethyl)thio]ethynyl}benzene 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 {[(Trifluoromethyl)thio]ethynyl}benzene?
The CAS number of {[(Trifluoromethyl)thio]ethynyl}benzene is 2002-89-3.
What is the molecular formula of {[(Trifluoromethyl)thio]ethynyl}benzene?
The molecular formula of {[(Trifluoromethyl)thio]ethynyl}benzene is C9H5F3S.
What is the molecular weight of {[(Trifluoromethyl)thio]ethynyl}benzene?
The molecular weight of {[(Trifluoromethyl)thio]ethynyl}benzene is 202.01 g/mol.
Where can I buy {[(Trifluoromethyl)thio]ethynyl}benzene?
You can request a quote for {[(Trifluoromethyl)thio]ethynyl}benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {[(Trifluoromethyl)thio]ethynyl}benzene?
Yes, KEHONG BIO provides custom synthesis services for {[(Trifluoromethyl)thio]ethynyl}benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.