4-(4-(Trifluoromethyl)phenyl)-1,3-dithiol-2-one
TL;DR: 4-(4-(Trifluoromethyl)phenyl)-1,3-dithiol-2-one (CAS 42573-96-6) is a chemical compound with molecular formula C10H5F3OS2 and molecular weight 261.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(trifluoromethyl)phenyl]-1,3-dithiol-2-one
Also Known As: 4-(4-(Trifluoromethyl)phenyl)-1,3-dithiol-2-one, 4-[4-(trifluoromethyl)phenyl]-1,3-dithiol-2-one, 4-[4-(trifluoromethyl)phenyl]-2H-1,3-dithiol-2-one, 1,3-Dithiol-2-one, 4-[4-(trifluoromethyl)phenyl]-, 2,4-BIS(TRICHLOROMETHYL)-6-(4-METHOXYSTYRYL)-1,3,5-TRIAZINE
| Molecular Formula | C10H5F3OS2 |
|---|---|
| Molecular Weight | 261.97 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 67.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 261.9734 |
| Heavy Atoms | 16 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 42573-96-6 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CSC(=O)S2)C(F)(F)F |
| InChIKey | WUXDPZAJFKQZBO-UHFFFAOYSA-N |
Product Overview
4-(4-(Trifluoromethyl)phenyl)-1,3-dithiol-2-one (CAS 42573-96-6), with molecular formula C10H5F3OS2 and molecular weight 261.97 g/mol. IUPAC: 4-[4-(trifluoromethyl)phenyl]-1,3-dithiol-2-one.
Chemical Property Profile of 4-(4-(Trifluoromethyl)phenyl)-1,3-dithiol-2-one
Property Insights of 4-(4-(Trifluoromethyl)phenyl)-1,3-dithiol-2-one
The XLogP value of 3.9 indicates that 4-(4-(Trifluoromethyl)phenyl)-1,3-dithiol-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-(Trifluoromethyl)phenyl)-1,3-dithiol-2-one. Following Lipinski's Rule of Five, 4-(4-(Trifluoromethyl)phenyl)-1,3-dithiol-2-one has 0 hydrogen bond donor(s) and 6 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 4-(4-(Trifluoromethyl)phenyl)-1,3-dithiol-2-one?
The CAS number of 4-(4-(Trifluoromethyl)phenyl)-1,3-dithiol-2-one is 42573-96-6.
What is the molecular formula of 4-(4-(Trifluoromethyl)phenyl)-1,3-dithiol-2-one?
The molecular formula of 4-(4-(Trifluoromethyl)phenyl)-1,3-dithiol-2-one is C10H5F3OS2.
What is the molecular weight of 4-(4-(Trifluoromethyl)phenyl)-1,3-dithiol-2-one?
The molecular weight of 4-(4-(Trifluoromethyl)phenyl)-1,3-dithiol-2-one is 261.97 g/mol.
Where can I buy 4-(4-(Trifluoromethyl)phenyl)-1,3-dithiol-2-one?
You can request a quote for 4-(4-(Trifluoromethyl)phenyl)-1,3-dithiol-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-(Trifluoromethyl)phenyl)-1,3-dithiol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-(Trifluoromethyl)phenyl)-1,3-dithiol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.