2-Propanone, 1,1,1-trifluoro-3-(8-quinolinylthio)-
TL;DR: 2-Propanone, 1,1,1-trifluoro-3-(8-quinolinylthio)- (CAS 127183-43-1) is a chemical compound with molecular formula C12H8F3NOS and molecular weight 271.02786 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,1,1-trifluoro-3-quinolin-8-ylsulfanylpropan-2-one
Also Known As: 2-Propanone, 1,1,1-trifluoro-3-(8-quinolinylthio)-, 1,1,1-trifluoro-3-quinolin-8-ylsulfanylpropan-2-one, 1,1,1-trifluoro-3-quinolin-8-ylsulfanyl-propan-2-one, 1,1,1-Trifluoro-3-[(quinolin-8-yl)sulfanyl]propan-2-one
Technical Specifications
| Molecular Formula | C12H8F3NOS |
| Molecular Weight | 271.02786 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 55.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 271.02786 Da |
| Heavy Atoms | 18 |
| Complexity | 308.0 |
| SMILES | C1=CC2=C(C(=C1)SCC(=O)C(F)(F)F)N=CC=C2 |
| InChIKey | NVOOGTVYYYACOC-UHFFFAOYSA-N |
Chemical Property Profile of 2-Propanone, 1,1,1-trifluoro-3-(8-quinolinylthio)-
Property Insights of 2-Propanone, 1,1,1-trifluoro-3-(8-quinolinylthio)-
The XLogP value of 3.6 indicates that 2-Propanone, 1,1,1-trifluoro-3-(8-quinolinylthio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.3 Ų, 2-Propanone, 1,1,1-trifluoro-3-(8-quinolinylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propanone, 1,1,1-trifluoro-3-(8-quinolinylthio)- 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
What is the CAS number of 2-Propanone, 1,1,1-trifluoro-3-(8-quinolinylthio)-?
The CAS number of 2-Propanone, 1,1,1-trifluoro-3-(8-quinolinylthio)- is 127183-43-1.
What is the molecular formula of 2-Propanone, 1,1,1-trifluoro-3-(8-quinolinylthio)-?
The molecular formula of 2-Propanone, 1,1,1-trifluoro-3-(8-quinolinylthio)- is C12H8F3NOS.
What is the molecular weight of 2-Propanone, 1,1,1-trifluoro-3-(8-quinolinylthio)-?
The molecular weight of 2-Propanone, 1,1,1-trifluoro-3-(8-quinolinylthio)- is 271.02786 g/mol.
Where can I buy 2-Propanone, 1,1,1-trifluoro-3-(8-quinolinylthio)-?
You can request a quote for 2-Propanone, 1,1,1-trifluoro-3-(8-quinolinylthio)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Propanone, 1,1,1-trifluoro-3-(8-quinolinylthio)-?
Yes, CoreyChem provides custom synthesis services for 2-Propanone, 1,1,1-trifluoro-3-(8-quinolinylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.