Butan-2-ylsulfanyl-methyl-sulfanylidene-(2,2,2-trifluoroethoxy)phosphorane
TL;DR: Butan-2-ylsulfanyl-methyl-sulfanylidene-(2,2,2-trifluoroethoxy)phosphorane (CAS 91168-91-1) is a chemical compound with molecular formula C7H14F3OPS2 and molecular weight 266.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butan-2-ylsulfanyl-methyl-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane
Also Known As: Butan-2-ylsulfanyl-methyl-sulfanylidene-(2,2,2-trifluoroethoxy)phosphorane, butan-2-ylsulfanyl-methyl-sulfanylidene-(2,2,2-trifluoroethoxy)-, S-(Butan-2-yl) O-(2,2,2-trifluoroethyl) methylphosphonodithioate, S-Butan-2-yl O-(2,2,2-trifluoroethyl) methylphosphonodithioate
| Molecular Formula | C7H14F3OPS2 |
|---|---|
| Molecular Weight | 266.02 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 66.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 266.01758 |
| Heavy Atoms | 14 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 91168-91-1 |
|---|---|
| SMILES | CCC(C)SP(=S)(C)OCC(F)(F)F |
| InChIKey | SZJHTIXDYPWDTJ-UHFFFAOYSA-N |
Product Overview
Butan-2-ylsulfanyl-methyl-sulfanylidene-(2,2,2-trifluoroethoxy)phosphorane (CAS 91168-91-1), with molecular formula C7H14F3OPS2 and molecular weight 266.02 g/mol. IUPAC: butan-2-ylsulfanyl-methyl-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane.
Chemical Property Profile of Butan-2-ylsulfanyl-methyl-sulfanylidene-(2,2,2-trifluoroethoxy)phosphorane
Property Insights of Butan-2-ylsulfanyl-methyl-sulfanylidene-(2,2,2-trifluoroethoxy)phosphorane
The XLogP value of 4.0 indicates that Butan-2-ylsulfanyl-methyl-sulfanylidene-(2,2,2-trifluoroethoxy)phosphorane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Butan-2-ylsulfanyl-methyl-sulfanylidene-(2,2,2-trifluoroethoxy)phosphorane. Following Lipinski's Rule of Five, Butan-2-ylsulfanyl-methyl-sulfanylidene-(2,2,2-trifluoroethoxy)phosphorane 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 Butan-2-ylsulfanyl-methyl-sulfanylidene-(2,2,2-trifluoroethoxy)phosphorane?
The CAS number of Butan-2-ylsulfanyl-methyl-sulfanylidene-(2,2,2-trifluoroethoxy)phosphorane is 91168-91-1.
What is the molecular formula of Butan-2-ylsulfanyl-methyl-sulfanylidene-(2,2,2-trifluoroethoxy)phosphorane?
The molecular formula of Butan-2-ylsulfanyl-methyl-sulfanylidene-(2,2,2-trifluoroethoxy)phosphorane is C7H14F3OPS2.
What is the molecular weight of Butan-2-ylsulfanyl-methyl-sulfanylidene-(2,2,2-trifluoroethoxy)phosphorane?
The molecular weight of Butan-2-ylsulfanyl-methyl-sulfanylidene-(2,2,2-trifluoroethoxy)phosphorane is 266.02 g/mol.
Where can I buy Butan-2-ylsulfanyl-methyl-sulfanylidene-(2,2,2-trifluoroethoxy)phosphorane?
You can request a quote for Butan-2-ylsulfanyl-methyl-sulfanylidene-(2,2,2-trifluoroethoxy)phosphorane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butan-2-ylsulfanyl-methyl-sulfanylidene-(2,2,2-trifluoroethoxy)phosphorane?
Yes, KEHONG BIO provides custom synthesis services for Butan-2-ylsulfanyl-methyl-sulfanylidene-(2,2,2-trifluoroethoxy)phosphorane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.