Dipropyl (1E)-1-(thiocyanato)prop-1-en-2-yl phosphate
TL;DR: Dipropyl (1E)-1-(thiocyanato)prop-1-en-2-yl phosphate (CAS 343942-05-2) is a chemical compound with molecular formula C10H18NO4PS and molecular weight 279.06943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(E)-2-dipropoxyphosphoryloxyprop-1-enyl] thiocyanate
Also Known As: [(E)-2-dipropoxyphosphoryloxyprop-1-enyl] thiocyanate, 2-dipropoxyphosphoryloxy-1-thiocyanato-prop-1-ene, Dipropyl (1E)-1-(thiocyanato)prop-1-en-2-yl phosphate
Technical Specifications
| Molecular Formula | C10H18NO4PS |
| Molecular Weight | 279.06943 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 93.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 279.06943 Da |
| Heavy Atoms | 17 |
| Complexity | 324.0 |
| SMILES | CCCOP(=O)(OCCC)O/C(=C/SC#N)/C |
| InChIKey | AETIHQCSQNCDFJ-CSKARUKUSA-N |
Chemical Property Profile of Dipropyl (1E)-1-(thiocyanato)prop-1-en-2-yl phosphate
Property Insights of Dipropyl (1E)-1-(thiocyanato)prop-1-en-2-yl phosphate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dipropyl (1E)-1-(thiocyanato)prop-1-en-2-yl phosphate. The TPSA of 93.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Dipropyl (1E)-1-(thiocyanato)prop-1-en-2-yl phosphate. Following Lipinski's Rule of Five, Dipropyl (1E)-1-(thiocyanato)prop-1-en-2-yl phosphate 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 Dipropyl (1E)-1-(thiocyanato)prop-1-en-2-yl phosphate?
The CAS number of Dipropyl (1E)-1-(thiocyanato)prop-1-en-2-yl phosphate is 343942-05-2.
What is the molecular formula of Dipropyl (1E)-1-(thiocyanato)prop-1-en-2-yl phosphate?
The molecular formula of Dipropyl (1E)-1-(thiocyanato)prop-1-en-2-yl phosphate is C10H18NO4PS.
What is the molecular weight of Dipropyl (1E)-1-(thiocyanato)prop-1-en-2-yl phosphate?
The molecular weight of Dipropyl (1E)-1-(thiocyanato)prop-1-en-2-yl phosphate is 279.06943 g/mol.
Where can I buy Dipropyl (1E)-1-(thiocyanato)prop-1-en-2-yl phosphate?
You can request a quote for Dipropyl (1E)-1-(thiocyanato)prop-1-en-2-yl phosphate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dipropyl (1E)-1-(thiocyanato)prop-1-en-2-yl phosphate?
Yes, CoreyChem provides custom synthesis services for Dipropyl (1E)-1-(thiocyanato)prop-1-en-2-yl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.