Thiothenoyltrifluoroacetone
TL;DR: Thiothenoyltrifluoroacetone (CAS 16003-59-1) is a chemical compound with molecular formula C8H5F3OS2 and molecular weight 237.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-trifluoro-4-sulfanylidene-4-thiophen-2-ylbutan-2-one
Also Known As: Thiothenoyltrifluoroacetone, Thiothenoyltrifluoraceton, Monothiothenoyltrifluoraceton, 2-Butanone, 1,1,1-trifluoro-4-(2-thienyl)-4-thioxo-, 1,1,1-trifluoro-4-sulfanylidene-4-thiophen-2-ylbutan-2-one
| Molecular Formula | C8H5F3OS2 |
|---|---|
| Molecular Weight | 237.97 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 77.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 237.97339 |
| Heavy Atoms | 14 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 16003-59-1 |
|---|---|
| SMILES | C1=CSC(=C1)C(=S)CC(=O)C(F)(F)F |
| InChIKey | SCSSJQAVQJCRQC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Thiothenoyltrifluoroacetone (CAS 16003-59-1), with molecular formula C8H5F3OS2 and molecular weight 237.97 g/mol. IUPAC: 1,1,1-trifluoro-4-sulfanylidene-4-thiophen-2-ylbutan-2-one.
Chemical Property Profile of Thiothenoyltrifluoroacetone
Property Insights of Thiothenoyltrifluoroacetone
The XLogP value of 3.2 indicates that Thiothenoyltrifluoroacetone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiothenoyltrifluoroacetone. Following Lipinski's Rule of Five, Thiothenoyltrifluoroacetone 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 Thiothenoyltrifluoroacetone?
The CAS number of Thiothenoyltrifluoroacetone is 16003-59-1.
What is the molecular formula of Thiothenoyltrifluoroacetone?
The molecular formula of Thiothenoyltrifluoroacetone is C8H5F3OS2.
What is the molecular weight of Thiothenoyltrifluoroacetone?
The molecular weight of Thiothenoyltrifluoroacetone is 237.97 g/mol.
Where can I buy Thiothenoyltrifluoroacetone?
You can request a quote for Thiothenoyltrifluoroacetone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiothenoyltrifluoroacetone?
Yes, KEHONG BIO provides custom synthesis services for Thiothenoyltrifluoroacetone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.