3-diethoxyphosphinothioylsulfanylprop-2-ynyl Acetate
TL;DR: 3-diethoxyphosphinothioylsulfanylprop-2-ynyl Acetate (CAS 111234-52-7) is a chemical compound with molecular formula C9H15O4PS2 and molecular weight 282.01492 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-diethoxyphosphinothioylsulfanylprop-2-ynyl acetate
Also Known As: 3-diethoxyphosphinothioylsulfanylprop-2-ynyl Acetate, 3-[(Diethoxyphosphorothioyl)sulfanyl]prop-2-yn-1-yl acetate
Technical Specifications
| Molecular Formula | C9H15O4PS2 |
| Molecular Weight | 282.01492 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 282.01492 Da |
| Heavy Atoms | 16 |
| Complexity | 321.0 |
| SMILES | CCOP(=S)(OCC)SC#CCOC(=O)C |
| InChIKey | AULWVOIPDBNODK-UHFFFAOYSA-N |
Chemical Property Profile of 3-diethoxyphosphinothioylsulfanylprop-2-ynyl Acetate
Property Insights of 3-diethoxyphosphinothioylsulfanylprop-2-ynyl Acetate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-diethoxyphosphinothioylsulfanylprop-2-ynyl Acetate. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-diethoxyphosphinothioylsulfanylprop-2-ynyl Acetate. Following Lipinski's Rule of Five, 3-diethoxyphosphinothioylsulfanylprop-2-ynyl Acetate 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
What is the CAS number of 3-diethoxyphosphinothioylsulfanylprop-2-ynyl Acetate?
The CAS number of 3-diethoxyphosphinothioylsulfanylprop-2-ynyl Acetate is 111234-52-7.
What is the molecular formula of 3-diethoxyphosphinothioylsulfanylprop-2-ynyl Acetate?
The molecular formula of 3-diethoxyphosphinothioylsulfanylprop-2-ynyl Acetate is C9H15O4PS2.
What is the molecular weight of 3-diethoxyphosphinothioylsulfanylprop-2-ynyl Acetate?
The molecular weight of 3-diethoxyphosphinothioylsulfanylprop-2-ynyl Acetate is 282.01492 g/mol.
Where can I buy 3-diethoxyphosphinothioylsulfanylprop-2-ynyl Acetate?
You can request a quote for 3-diethoxyphosphinothioylsulfanylprop-2-ynyl Acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-diethoxyphosphinothioylsulfanylprop-2-ynyl Acetate?
Yes, CoreyChem provides custom synthesis services for 3-diethoxyphosphinothioylsulfanylprop-2-ynyl Acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.