4-Amino-2-chloro-5-(2,4,5-trichlorophenoxy)phenyl thiocyanate
TL;DR: 4-Amino-2-chloro-5-(2,4,5-trichlorophenoxy)phenyl thiocyanate (CAS 13997-29-0) is a chemical compound with molecular formula C13H6Cl4N2OS and molecular weight 377.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-amino-2-chloro-5-(2,4,5-trichlorophenoxy)phenyl] thiocyanate
Also Known As: 4-Amino-2-chloro-5-(2,4,5-trichlorophenoxy)phenyl thiocyanate, [4-amino-2-chloro-5-(2,4,5-trichlorophenoxy)phenyl] thiocyanate, Thiocyanic acid, 4-amino-2-chloro-5-(2,4,5-trichlorophenoxy)phenyl ester, 4-Amino-2-chloro-5-(2,4,5-trichlorophenoxy)phenyl thiocyanate #, {[4-amino-2-chloro-5-(2,4,5-trichlorophenoxy)phenyl]sulfanyl}formonitrile
| Molecular Formula | C13H6Cl4N2OS |
|---|---|
| Molecular Weight | 377.90 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 84.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 377.8955 |
| Heavy Atoms | 21 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 13997-29-0 |
|---|---|
| SMILES | C1=C(C(=CC(=C1Cl)SC#N)OC2=CC(=C(C=C2Cl)Cl)Cl)N |
| InChIKey | KPNRBRAYWRNRPO-UHFFFAOYSA-N |
Product Overview
4-Amino-2-chloro-5-(2,4,5-trichlorophenoxy)phenyl thiocyanate (CAS 13997-29-0), with molecular formula C13H6Cl4N2OS and molecular weight 377.90 g/mol. IUPAC: [4-amino-2-chloro-5-(2,4,5-trichlorophenoxy)phenyl] thiocyanate.
Chemical Property Profile of 4-Amino-2-chloro-5-(2,4,5-trichlorophenoxy)phenyl thiocyanate
Property Insights of 4-Amino-2-chloro-5-(2,4,5-trichlorophenoxy)phenyl thiocyanate
The XLogP value of 5.8 indicates that 4-Amino-2-chloro-5-(2,4,5-trichlorophenoxy)phenyl thiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-2-chloro-5-(2,4,5-trichlorophenoxy)phenyl thiocyanate. Following Lipinski's Rule of Five, 4-Amino-2-chloro-5-(2,4,5-trichlorophenoxy)phenyl thiocyanate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Amino-2-chloro-5-(2,4,5-trichlorophenoxy)phenyl thiocyanate?
The CAS number of 4-Amino-2-chloro-5-(2,4,5-trichlorophenoxy)phenyl thiocyanate is 13997-29-0.
What is the molecular formula of 4-Amino-2-chloro-5-(2,4,5-trichlorophenoxy)phenyl thiocyanate?
The molecular formula of 4-Amino-2-chloro-5-(2,4,5-trichlorophenoxy)phenyl thiocyanate is C13H6Cl4N2OS.
What is the molecular weight of 4-Amino-2-chloro-5-(2,4,5-trichlorophenoxy)phenyl thiocyanate?
The molecular weight of 4-Amino-2-chloro-5-(2,4,5-trichlorophenoxy)phenyl thiocyanate is 377.90 g/mol.
Where can I buy 4-Amino-2-chloro-5-(2,4,5-trichlorophenoxy)phenyl thiocyanate?
You can request a quote for 4-Amino-2-chloro-5-(2,4,5-trichlorophenoxy)phenyl thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-2-chloro-5-(2,4,5-trichlorophenoxy)phenyl thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-2-chloro-5-(2,4,5-trichlorophenoxy)phenyl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.