2,5-Dimethoxyphenacylthiocyanate
TL;DR: 2,5-Dimethoxyphenacylthiocyanate (CAS 103986-87-4) is a chemical compound with molecular formula C11H11NO3S and molecular weight 237.04596 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] thiocyanate
Also Known As: 2,5-Dimethoxyphenacylthiocyanate, [2-(2,5-dimethoxyphenyl)-2-oxoethyl] thiocyanate, 1-(2,5-dimethoxyphenyl)-2-thiocyanatoethanone, 2-(2,5-dimethoxyphenyl)-2-oxoethyl thiocyanate, 1-(2,5-dimethoxy-phenyl)-2-thiocyanato-ethanone
Technical Specifications
| Molecular Formula | C11H11NO3S |
| Molecular Weight | 237.04596 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 84.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 237.04596 Da |
| Heavy Atoms | 16 |
| Complexity | 286.0 |
| SMILES | COC1=CC(=C(C=C1)OC)C(=O)CSC#N |
| InChIKey | YEZBXVHSYKNBSF-UHFFFAOYSA-N |
Chemical Property Profile of 2,5-Dimethoxyphenacylthiocyanate
Property Insights of 2,5-Dimethoxyphenacylthiocyanate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Dimethoxyphenacylthiocyanate. The TPSA of 84.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5-Dimethoxyphenacylthiocyanate. Following Lipinski's Rule of Five, 2,5-Dimethoxyphenacylthiocyanate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,5-Dimethoxyphenacylthiocyanate?
The CAS number of 2,5-Dimethoxyphenacylthiocyanate is 103986-87-4.
What is the molecular formula of 2,5-Dimethoxyphenacylthiocyanate?
The molecular formula of 2,5-Dimethoxyphenacylthiocyanate is C11H11NO3S.
What is the molecular weight of 2,5-Dimethoxyphenacylthiocyanate?
The molecular weight of 2,5-Dimethoxyphenacylthiocyanate is 237.04596 g/mol.
Where can I buy 2,5-Dimethoxyphenacylthiocyanate?
You can request a quote for 2,5-Dimethoxyphenacylthiocyanate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,5-Dimethoxyphenacylthiocyanate?
Yes, CoreyChem provides custom synthesis services for 2,5-Dimethoxyphenacylthiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.