1-(Methyl-(2,2,2-trifluoroethoxy)phosphoryl)sulfanylpropane
TL;DR: 1-(Methyl-(2,2,2-trifluoroethoxy)phosphoryl)sulfanylpropane (CAS 91168-94-4) is a chemical compound with molecular formula C6H12F3O2PS and molecular weight 236.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[methyl(2,2,2-trifluoroethoxy)phosphoryl]sulfanylpropane
Also Known As: 1-(methyl-(2,2,2-trifluoroethoxy)phosphoryl)sulfanylpropane, 1-[methyl(2,2,2-trifluoroethoxy)phosphoryl]sulfanylpropane, S-propyl O-(2,2,2-trifluoroethyl) methylphosphonothioate
| Molecular Formula | C6H12F3O2PS |
|---|---|
| Molecular Weight | 236.02 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 236.02477 |
| Heavy Atoms | 13 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 91168-94-4 |
|---|---|
| SMILES | CCCSP(=O)(C)OCC(F)(F)F |
| InChIKey | PSWIOGAFQUMZSW-UHFFFAOYSA-N |
Product Overview
1-(Methyl-(2,2,2-trifluoroethoxy)phosphoryl)sulfanylpropane (CAS 91168-94-4), with molecular formula C6H12F3O2PS and molecular weight 236.02 g/mol. IUPAC: 1-[methyl(2,2,2-trifluoroethoxy)phosphoryl]sulfanylpropane.
Chemical Property Profile of 1-(Methyl-(2,2,2-trifluoroethoxy)phosphoryl)sulfanylpropane
Property Insights of 1-(Methyl-(2,2,2-trifluoroethoxy)phosphoryl)sulfanylpropane
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Methyl-(2,2,2-trifluoroethoxy)phosphoryl)sulfanylpropane. With a topological polar surface area (TPSA) of 51.6 Ų, 1-(Methyl-(2,2,2-trifluoroethoxy)phosphoryl)sulfanylpropane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Methyl-(2,2,2-trifluoroethoxy)phosphoryl)sulfanylpropane 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 1-(Methyl-(2,2,2-trifluoroethoxy)phosphoryl)sulfanylpropane?
The CAS number of 1-(Methyl-(2,2,2-trifluoroethoxy)phosphoryl)sulfanylpropane is 91168-94-4.
What is the molecular formula of 1-(Methyl-(2,2,2-trifluoroethoxy)phosphoryl)sulfanylpropane?
The molecular formula of 1-(Methyl-(2,2,2-trifluoroethoxy)phosphoryl)sulfanylpropane is C6H12F3O2PS.
What is the molecular weight of 1-(Methyl-(2,2,2-trifluoroethoxy)phosphoryl)sulfanylpropane?
The molecular weight of 1-(Methyl-(2,2,2-trifluoroethoxy)phosphoryl)sulfanylpropane is 236.02 g/mol.
Where can I buy 1-(Methyl-(2,2,2-trifluoroethoxy)phosphoryl)sulfanylpropane?
You can request a quote for 1-(Methyl-(2,2,2-trifluoroethoxy)phosphoryl)sulfanylpropane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Methyl-(2,2,2-trifluoroethoxy)phosphoryl)sulfanylpropane?
Yes, KEHONG BIO provides custom synthesis services for 1-(Methyl-(2,2,2-trifluoroethoxy)phosphoryl)sulfanylpropane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.