![[2,3,5,6-Tetrachloro-4-(thiocyanatomethyl)phenyl]methyl thiocyanate structure](/static/products/850/85071-30-3.png)
[2,3,5,6-Tetrachloro-4-(thiocyanatomethyl)phenyl]methyl thiocyanate
TL;DR: [2,3,5,6-Tetrachloro-4-(thiocyanatomethyl)phenyl]methyl thiocyanate (CAS 85071-30-3) is a chemical compound with molecular formula C10H4Cl4N2S2 and molecular weight 355.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,3,5,6-tetrachloro-4-(thiocyanatomethyl)phenyl]methyl thiocyanate
Also Known As: [2,3,5,6-tetrachloro-4-(thiocyanatomethyl)phenyl]methyl thiocyanate|[2,3,5,6-tetrachloro-4-(thiocyanatomethyl)phenyl]methyl thio|(2,3,5,6-Tetrachloro-1,4-phenylene)bis(methylene) bis(thiocyanate)
| Molecular Formula | C10H4Cl4N2S2 |
|---|---|
| Molecular Weight | 355.86 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 98.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 355.857 |
| Heavy Atoms | 18 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 85071-30-3 |
|---|---|
| SMILES | C(C1=C(C(=C(C(=C1Cl)Cl)CSC#N)Cl)Cl)SC#N |
| InChIKey | UOJCTAJBIMBPDE-UHFFFAOYSA-N |
Product Overview
[2,3,5,6-Tetrachloro-4-(thiocyanatomethyl)phenyl]methyl thiocyanate (CAS 85071-30-3), with molecular formula C10H4Cl4N2S2 and molecular weight 355.86 g/mol. IUPAC: [2,3,5,6-tetrachloro-4-(thiocyanatomethyl)phenyl]methyl thiocyanate.
Chemical Property Profile of [2,3,5,6-Tetrachloro-4-(thiocyanatomethyl)phenyl]methyl thiocyanate
Property Insights of [2,3,5,6-Tetrachloro-4-(thiocyanatomethyl)phenyl]methyl thiocyanate
The XLogP value of 5.4 indicates that [2,3,5,6-Tetrachloro-4-(thiocyanatomethyl)phenyl]methyl thiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.2 Ų falls within the moderate polarity range, balancing permeability and solubility for [2,3,5,6-Tetrachloro-4-(thiocyanatomethyl)phenyl]methyl thiocyanate. Following Lipinski's Rule of Five, [2,3,5,6-Tetrachloro-4-(thiocyanatomethyl)phenyl]methyl thiocyanate has 0 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 [2,3,5,6-Tetrachloro-4-(thiocyanatomethyl)phenyl]methyl thiocyanate?
The CAS number of [2,3,5,6-Tetrachloro-4-(thiocyanatomethyl)phenyl]methyl thiocyanate is 85071-30-3.
What is the molecular formula of [2,3,5,6-Tetrachloro-4-(thiocyanatomethyl)phenyl]methyl thiocyanate?
The molecular formula of [2,3,5,6-Tetrachloro-4-(thiocyanatomethyl)phenyl]methyl thiocyanate is C10H4Cl4N2S2.
What is the molecular weight of [2,3,5,6-Tetrachloro-4-(thiocyanatomethyl)phenyl]methyl thiocyanate?
The molecular weight of [2,3,5,6-Tetrachloro-4-(thiocyanatomethyl)phenyl]methyl thiocyanate is 355.86 g/mol.
Where can I buy [2,3,5,6-Tetrachloro-4-(thiocyanatomethyl)phenyl]methyl thiocyanate?
You can request a quote for [2,3,5,6-Tetrachloro-4-(thiocyanatomethyl)phenyl]methyl thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2,3,5,6-Tetrachloro-4-(thiocyanatomethyl)phenyl]methyl thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for [2,3,5,6-Tetrachloro-4-(thiocyanatomethyl)phenyl]methyl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.