Thiocyanic acid, 4-(diethylamino)phenyl ester
TL;DR: Thiocyanic acid, 4-(diethylamino)phenyl ester (CAS 63759-68-2) is a chemical compound with molecular formula C11H14N2S and molecular weight 206.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(diethylamino)phenyl] thiocyanate
Also Known As: Hexadecane,1,2-dibromo, 4-(diethylamino)phenyl thiocyanate, [4-(diethylamino)phenyl] thiocyanate, 4-Diethylaminophenyl thiocyanate, 4-Thiocyanato-N,N-diethylaniline
| Molecular Formula | C11H14N2S |
|---|---|
| Molecular Weight | 206.09 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 206.08777 |
| Heavy Atoms | 14 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 63759-68-2 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)SC#N |
| InChIKey | SVMDBXQNDZXPND-UHFFFAOYSA-N |
Product Overview
Thiocyanic acid, 4-(diethylamino)phenyl ester (CAS 63759-68-2), with molecular formula C11H14N2S and molecular weight 206.09 g/mol. IUPAC: [4-(diethylamino)phenyl] thiocyanate.
Chemical Property Profile of Thiocyanic acid, 4-(diethylamino)phenyl ester
Property Insights of Thiocyanic acid, 4-(diethylamino)phenyl ester
The XLogP value of 3.3 indicates that Thiocyanic acid, 4-(diethylamino)phenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.3 Ų, Thiocyanic acid, 4-(diethylamino)phenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiocyanic acid, 4-(diethylamino)phenyl ester has 0 hydrogen bond donor(s) and 3 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 Thiocyanic acid, 4-(diethylamino)phenyl ester?
The CAS number of Thiocyanic acid, 4-(diethylamino)phenyl ester is 63759-68-2.
What is the molecular formula of Thiocyanic acid, 4-(diethylamino)phenyl ester?
The molecular formula of Thiocyanic acid, 4-(diethylamino)phenyl ester is C11H14N2S.
What is the molecular weight of Thiocyanic acid, 4-(diethylamino)phenyl ester?
The molecular weight of Thiocyanic acid, 4-(diethylamino)phenyl ester is 206.09 g/mol.
Where can I buy Thiocyanic acid, 4-(diethylamino)phenyl ester?
You can request a quote for Thiocyanic acid, 4-(diethylamino)phenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiocyanic acid, 4-(diethylamino)phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Thiocyanic acid, 4-(diethylamino)phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.