3-Dodecan-5-ylthio-1,1,1-trifluoropropan-2-one
TL;DR: 3-Dodecan-5-ylthio-1,1,1-trifluoropropan-2-one (CAS 112240-81-0) is a chemical compound with molecular formula C15H27F3OS and molecular weight 312.17346 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-dodecan-5-ylsulfanyl-1,1,1-trifluoropropan-2-one
Also Known As: 3-Dodecan-5-ylthio-1,1,1-trifluoropropan-2-one, Propan-2-one, 3-dodecan-5-ylthio-1,1,1-trifluoro-, 3-dodecan-5-ylsulfanyl-1,1,1-trifluoro-propan-2-one, 3-dodecan-5-ylsulfanyl-1,1,1-trifluoropropan-2-one, 3-[(Dodecan-5-yl)sulfanyl]-1,1,1-trifluoropropan-2-one
Technical Specifications
| Molecular Formula | C15H27F3OS |
| Molecular Weight | 312.17346 g/mol |
| XLogP | 7.0 |
| Topological Polar Surface Area (TPSA) | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 312.17346 Da |
| Heavy Atoms | 20 |
| Complexity | 254.0 |
| SMILES | CCCCCCCC(CCCC)SCC(=O)C(F)(F)F |
| InChIKey | GHZVVTDTDVBFPI-UHFFFAOYSA-N |
Chemical Property Profile of 3-Dodecan-5-ylthio-1,1,1-trifluoropropan-2-one
Property Insights of 3-Dodecan-5-ylthio-1,1,1-trifluoropropan-2-one
The XLogP value of 7.0 indicates that 3-Dodecan-5-ylthio-1,1,1-trifluoropropan-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, 3-Dodecan-5-ylthio-1,1,1-trifluoropropan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Dodecan-5-ylthio-1,1,1-trifluoropropan-2-one 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 3-Dodecan-5-ylthio-1,1,1-trifluoropropan-2-one?
The CAS number of 3-Dodecan-5-ylthio-1,1,1-trifluoropropan-2-one is 112240-81-0.
What is the molecular formula of 3-Dodecan-5-ylthio-1,1,1-trifluoropropan-2-one?
The molecular formula of 3-Dodecan-5-ylthio-1,1,1-trifluoropropan-2-one is C15H27F3OS.
What is the molecular weight of 3-Dodecan-5-ylthio-1,1,1-trifluoropropan-2-one?
The molecular weight of 3-Dodecan-5-ylthio-1,1,1-trifluoropropan-2-one is 312.17346 g/mol.
Where can I buy 3-Dodecan-5-ylthio-1,1,1-trifluoropropan-2-one?
You can request a quote for 3-Dodecan-5-ylthio-1,1,1-trifluoropropan-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Dodecan-5-ylthio-1,1,1-trifluoropropan-2-one?
Yes, CoreyChem provides custom synthesis services for 3-Dodecan-5-ylthio-1,1,1-trifluoropropan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.