2-(3,4-Dimethoxyphenyl)-2-oxoethyl thiocyanate
TL;DR: 2-(3,4-Dimethoxyphenyl)-2-oxoethyl thiocyanate (CAS 19339-61-8) is a chemical compound with molecular formula C11H11NO3S and molecular weight 237.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] thiocyanate
Also Known As: 2-(3,4-Dimethoxyphenyl)-2-oxoethyl thiocyanate, TimTec1_004624, 3,4-Dimethoxyphenacylthiocyanate, 3,4-Dimethoxyphenacyl thiocyanate, 1-(3,4-Dimethoxyphenyl)-2-thiocyanatoethanone
| Molecular Formula | C11H11NO3S |
|---|---|
| Molecular Weight | 237.05 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 84.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 237.04596 |
| Heavy Atoms | 16 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 19339-61-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)CSC#N)OC |
| InChIKey | WAIJFLLFDYMRFP-UHFFFAOYSA-N |
Product Overview
2-(3,4-Dimethoxyphenyl)-2-oxoethyl thiocyanate (CAS 19339-61-8), with molecular formula C11H11NO3S and molecular weight 237.05 g/mol. IUPAC: [2-(3,4-dimethoxyphenyl)-2-oxoethyl] thiocyanate.
Chemical Property Profile of 2-(3,4-Dimethoxyphenyl)-2-oxoethyl thiocyanate
Property Insights of 2-(3,4-Dimethoxyphenyl)-2-oxoethyl thiocyanate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3,4-Dimethoxyphenyl)-2-oxoethyl thiocyanate. The TPSA of 84.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3,4-Dimethoxyphenyl)-2-oxoethyl thiocyanate. Following Lipinski's Rule of Five, 2-(3,4-Dimethoxyphenyl)-2-oxoethyl thiocyanate 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
Frequently Asked Questions
What is the CAS number of 2-(3,4-Dimethoxyphenyl)-2-oxoethyl thiocyanate?
The CAS number of 2-(3,4-Dimethoxyphenyl)-2-oxoethyl thiocyanate is 19339-61-8.
What is the molecular formula of 2-(3,4-Dimethoxyphenyl)-2-oxoethyl thiocyanate?
The molecular formula of 2-(3,4-Dimethoxyphenyl)-2-oxoethyl thiocyanate is C11H11NO3S.
What is the molecular weight of 2-(3,4-Dimethoxyphenyl)-2-oxoethyl thiocyanate?
The molecular weight of 2-(3,4-Dimethoxyphenyl)-2-oxoethyl thiocyanate is 237.05 g/mol.
Where can I buy 2-(3,4-Dimethoxyphenyl)-2-oxoethyl thiocyanate?
You can request a quote for 2-(3,4-Dimethoxyphenyl)-2-oxoethyl thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,4-Dimethoxyphenyl)-2-oxoethyl thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,4-Dimethoxyphenyl)-2-oxoethyl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.