2-(Methyl(2,2,2-trifluoroethoxy)phosphoryl)sulfanylbutane
TL;DR: 2-(Methyl(2,2,2-trifluoroethoxy)phosphoryl)sulfanylbutane (CAS 91168-98-8) is a chemical compound with molecular formula C7H14F3O2PS and molecular weight 250.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[methyl(2,2,2-trifluoroethoxy)phosphoryl]sulfanylbutane
Also Known As: 2-(Methyl(2,2,2-trifluoroethoxy)phosphoryl)sulfanylbutane, 2-(methyl-(2,2,2-trifluoroethoxy)phosphoryl)sulfanylbutane, 2-[methyl(2,2,2-trifluoroethoxy)phosphoryl]sulfanylbutane, S-Butan-2-yl O-(2,2,2-trifluoroethyl) methylphosphonothioate, S-(Butan-2-yl) O-(2,2,2-trifluoroethyl) methylphosphonothioate
| Molecular Formula | C7H14F3O2PS |
|---|---|
| Molecular Weight | 250.04 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 250.04042 |
| Heavy Atoms | 14 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 91168-98-8 |
|---|---|
| SMILES | CCC(C)SP(=O)(C)OCC(F)(F)F |
| InChIKey | VAMPBTRHAOMYQF-UHFFFAOYSA-N |
Product Overview
2-(Methyl(2,2,2-trifluoroethoxy)phosphoryl)sulfanylbutane (CAS 91168-98-8), with molecular formula C7H14F3O2PS and molecular weight 250.04 g/mol. IUPAC: 2-[methyl(2,2,2-trifluoroethoxy)phosphoryl]sulfanylbutane.
Chemical Property Profile of 2-(Methyl(2,2,2-trifluoroethoxy)phosphoryl)sulfanylbutane
Property Insights of 2-(Methyl(2,2,2-trifluoroethoxy)phosphoryl)sulfanylbutane
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Methyl(2,2,2-trifluoroethoxy)phosphoryl)sulfanylbutane. With a topological polar surface area (TPSA) of 51.6 Ų, 2-(Methyl(2,2,2-trifluoroethoxy)phosphoryl)sulfanylbutane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Methyl(2,2,2-trifluoroethoxy)phosphoryl)sulfanylbutane 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 2-(Methyl(2,2,2-trifluoroethoxy)phosphoryl)sulfanylbutane?
The CAS number of 2-(Methyl(2,2,2-trifluoroethoxy)phosphoryl)sulfanylbutane is 91168-98-8.
What is the molecular formula of 2-(Methyl(2,2,2-trifluoroethoxy)phosphoryl)sulfanylbutane?
The molecular formula of 2-(Methyl(2,2,2-trifluoroethoxy)phosphoryl)sulfanylbutane is C7H14F3O2PS.
What is the molecular weight of 2-(Methyl(2,2,2-trifluoroethoxy)phosphoryl)sulfanylbutane?
The molecular weight of 2-(Methyl(2,2,2-trifluoroethoxy)phosphoryl)sulfanylbutane is 250.04 g/mol.
Where can I buy 2-(Methyl(2,2,2-trifluoroethoxy)phosphoryl)sulfanylbutane?
You can request a quote for 2-(Methyl(2,2,2-trifluoroethoxy)phosphoryl)sulfanylbutane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Methyl(2,2,2-trifluoroethoxy)phosphoryl)sulfanylbutane?
Yes, KEHONG BIO provides custom synthesis services for 2-(Methyl(2,2,2-trifluoroethoxy)phosphoryl)sulfanylbutane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.