Thiocyanic acid, 4-(((5-chloro-2-hydroxyphenyl)methylene)amino)phenyl ester
TL;DR: Thiocyanic acid, 4-(((5-chloro-2-hydroxyphenyl)methylene)amino)phenyl ester (CAS 55720-19-9) is a chemical compound with molecular formula C14H9ClN2OS and molecular weight 288.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(5-chloro-2-hydroxyphenyl)methylideneamino]phenyl] thiocyanate
Also Known As: Thiocyanic acid, 4-(((5-chloro-2-hydroxyphenyl)methylene)amino)phenyl ester, [4-[[(Z)-(3-chloro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl], [4-[[(Z)-(3-chloro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]phenyl] thiocyanate
| Molecular Formula | C14H9ClN2OS |
|---|---|
| Molecular Weight | 288.01 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.01242 |
| Heavy Atoms | 19 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 55720-19-9 |
|---|---|
| SMILES | C1=CC(=CC=C1N=CC2=C(C=CC(=C2)Cl)O)SC#N |
| InChIKey | IOYILCGPSTXIRJ-UHFFFAOYSA-N |
Product Overview
Thiocyanic acid, 4-(((5-chloro-2-hydroxyphenyl)methylene)amino)phenyl ester (CAS 55720-19-9), with molecular formula C14H9ClN2OS and molecular weight 288.01 g/mol. IUPAC: [4-[(5-chloro-2-hydroxyphenyl)methylideneamino]phenyl] thiocyanate.
Chemical Property Profile of Thiocyanic acid, 4-(((5-chloro-2-hydroxyphenyl)methylene)amino)phenyl ester
Property Insights of Thiocyanic acid, 4-(((5-chloro-2-hydroxyphenyl)methylene)amino)phenyl ester
The XLogP value of 4.1 indicates that Thiocyanic acid, 4-(((5-chloro-2-hydroxyphenyl)methylene)amino)phenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiocyanic acid, 4-(((5-chloro-2-hydroxyphenyl)methylene)amino)phenyl ester. Following Lipinski's Rule of Five, Thiocyanic acid, 4-(((5-chloro-2-hydroxyphenyl)methylene)amino)phenyl ester has 1 hydrogen bond donor(s) and 4 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-(((5-chloro-2-hydroxyphenyl)methylene)amino)phenyl ester?
The CAS number of Thiocyanic acid, 4-(((5-chloro-2-hydroxyphenyl)methylene)amino)phenyl ester is 55720-19-9.
What is the molecular formula of Thiocyanic acid, 4-(((5-chloro-2-hydroxyphenyl)methylene)amino)phenyl ester?
The molecular formula of Thiocyanic acid, 4-(((5-chloro-2-hydroxyphenyl)methylene)amino)phenyl ester is C14H9ClN2OS.
What is the molecular weight of Thiocyanic acid, 4-(((5-chloro-2-hydroxyphenyl)methylene)amino)phenyl ester?
The molecular weight of Thiocyanic acid, 4-(((5-chloro-2-hydroxyphenyl)methylene)amino)phenyl ester is 288.01 g/mol.
Where can I buy Thiocyanic acid, 4-(((5-chloro-2-hydroxyphenyl)methylene)amino)phenyl ester?
You can request a quote for Thiocyanic acid, 4-(((5-chloro-2-hydroxyphenyl)methylene)amino)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-(((5-chloro-2-hydroxyphenyl)methylene)amino)phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Thiocyanic acid, 4-(((5-chloro-2-hydroxyphenyl)methylene)amino)phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.