1,1,1-Trifluoro-3-nonan-2-ylthio2-propanone
TL;DR: 1,1,1-Trifluoro-3-nonan-2-ylthio2-propanone (CAS 112240-78-5) is a chemical compound with molecular formula C12H21F3OS and molecular weight 270.12653 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,1,1-trifluoro-3-nonan-2-ylsulfanylpropan-2-one
Also Known As: 1,1,1-Trifluoro-3-nonan-2-ylthio2-propanone, 1,1,1-trifluoro-3-nonan-2-ylsulfanylpropan-2-one, Propan-2-one, 1,1,1-trifluoro-3-nonan-2-ylthio-, 1,1,1-trifluoro-3-nonan-2-ylsulfanyl-propan-2-one, 3-(1-Methyloctylthio)-1,1,1-trifluoro-2-propanone
Technical Specifications
| Molecular Formula | C12H21F3OS |
| Molecular Weight | 270.12653 g/mol |
| XLogP | 5.6 |
| Topological Polar Surface Area (TPSA) | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 270.12653 Da |
| Heavy Atoms | 17 |
| Complexity | 216.0 |
| SMILES | CCCCCCCC(C)SCC(=O)C(F)(F)F |
| InChIKey | BYIMEUIBDXVRMQ-UHFFFAOYSA-N |
Chemical Property Profile of 1,1,1-Trifluoro-3-nonan-2-ylthio2-propanone
Property Insights of 1,1,1-Trifluoro-3-nonan-2-ylthio2-propanone
The XLogP value of 5.6 indicates that 1,1,1-Trifluoro-3-nonan-2-ylthio2-propanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, 1,1,1-Trifluoro-3-nonan-2-ylthio2-propanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1-Trifluoro-3-nonan-2-ylthio2-propanone has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1,1,1-Trifluoro-3-nonan-2-ylthio2-propanone?
The CAS number of 1,1,1-Trifluoro-3-nonan-2-ylthio2-propanone is 112240-78-5.
What is the molecular formula of 1,1,1-Trifluoro-3-nonan-2-ylthio2-propanone?
The molecular formula of 1,1,1-Trifluoro-3-nonan-2-ylthio2-propanone is C12H21F3OS.
What is the molecular weight of 1,1,1-Trifluoro-3-nonan-2-ylthio2-propanone?
The molecular weight of 1,1,1-Trifluoro-3-nonan-2-ylthio2-propanone is 270.12653 g/mol.
Where can I buy 1,1,1-Trifluoro-3-nonan-2-ylthio2-propanone?
You can request a quote for 1,1,1-Trifluoro-3-nonan-2-ylthio2-propanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,1,1-Trifluoro-3-nonan-2-ylthio2-propanone?
Yes, CoreyChem provides custom synthesis services for 1,1,1-Trifluoro-3-nonan-2-ylthio2-propanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.