Phenol, 4-bromo-2-(4-thiocyanatophenyliminomethyl)-
TL;DR: Phenol, 4-bromo-2-(4-thiocyanatophenyliminomethyl)- (CAS 55720-20-2) is a chemical compound with molecular formula C14H9BrN2OS and molecular weight 331.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl] thiocyanate
Also Known As: Phenol, 4-bromo-2-(4-thiocyanatophenyliminomethyl)-, 4-([(E)-(5-Bromo-2-hydroxyphenyl)methylidene]amino)phenyl thiocyanate #, Thiocyanic acid, 4-(((5-bromo-2-hydroxyphenyl)methylene)amino)phenyl ester, [4-[[(Z)-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]phenyl] thiocyanate
| Molecular Formula | C14H9BrN2OS |
|---|---|
| Molecular Weight | 331.96 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 | 331.9619 |
| Heavy Atoms | 19 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 55720-20-2 |
|---|---|
| SMILES | C1=CC(=CC=C1N=CC2=C(C=CC(=C2)Br)O)SC#N |
| InChIKey | RNGSROAWNMTXTF-UHFFFAOYSA-N |
Product Overview
Phenol, 4-bromo-2-(4-thiocyanatophenyliminomethyl)- (CAS 55720-20-2), with molecular formula C14H9BrN2OS and molecular weight 331.96 g/mol. IUPAC: [4-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl] thiocyanate.
Chemical Property Profile of Phenol, 4-bromo-2-(4-thiocyanatophenyliminomethyl)-
Property Insights of Phenol, 4-bromo-2-(4-thiocyanatophenyliminomethyl)-
The XLogP value of 4.1 indicates that Phenol, 4-bromo-2-(4-thiocyanatophenyliminomethyl)- 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 Phenol, 4-bromo-2-(4-thiocyanatophenyliminomethyl)-. Following Lipinski's Rule of Five, Phenol, 4-bromo-2-(4-thiocyanatophenyliminomethyl)- 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 Phenol, 4-bromo-2-(4-thiocyanatophenyliminomethyl)-?
The CAS number of Phenol, 4-bromo-2-(4-thiocyanatophenyliminomethyl)- is 55720-20-2.
What is the molecular formula of Phenol, 4-bromo-2-(4-thiocyanatophenyliminomethyl)-?
The molecular formula of Phenol, 4-bromo-2-(4-thiocyanatophenyliminomethyl)- is C14H9BrN2OS.
What is the molecular weight of Phenol, 4-bromo-2-(4-thiocyanatophenyliminomethyl)-?
The molecular weight of Phenol, 4-bromo-2-(4-thiocyanatophenyliminomethyl)- is 331.96 g/mol.
Where can I buy Phenol, 4-bromo-2-(4-thiocyanatophenyliminomethyl)-?
You can request a quote for Phenol, 4-bromo-2-(4-thiocyanatophenyliminomethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, 4-bromo-2-(4-thiocyanatophenyliminomethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Phenol, 4-bromo-2-(4-thiocyanatophenyliminomethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.