2,4-Dichlorobenzyl thiocyanate
TL;DR: 2,4-Dichlorobenzyl thiocyanate (CAS 7534-61-4) is a chemical compound with molecular formula C8H5Cl2NS and molecular weight 216.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4-dichlorophenyl)methyl thiocyanate
Also Known As: 2,4-Dichlorobenzyl thiocyanate, 2,4-Dcbt, (2,4-dichlorophenyl)methyl thiocyanate, Thiocyanic acid, 2,4-dichlorobenzyl ester, Thiocyanic acid,4-dichlorobenzyl ester
| Molecular Formula | C8H5Cl2NS |
|---|---|
| Molecular Weight | 216.95 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.95198 |
| Heavy Atoms | 12 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 7534-61-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)Cl)CSC#N |
| InChIKey | JLSPXOVSIVYMCY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Dichlorobenzyl thiocyanate (CAS 7534-61-4), with molecular formula C8H5Cl2NS and molecular weight 216.95 g/mol. IUPAC: (2,4-dichlorophenyl)methyl thiocyanate.
Chemical Property Profile of 2,4-Dichlorobenzyl thiocyanate
Property Insights of 2,4-Dichlorobenzyl thiocyanate
The XLogP value of 3.9 indicates that 2,4-Dichlorobenzyl thiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.1 Ų, 2,4-Dichlorobenzyl thiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dichlorobenzyl thiocyanate has 0 hydrogen bond donor(s) and 2 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 2,4-Dichlorobenzyl thiocyanate?
The CAS number of 2,4-Dichlorobenzyl thiocyanate is 7534-61-4.
What is the molecular formula of 2,4-Dichlorobenzyl thiocyanate?
The molecular formula of 2,4-Dichlorobenzyl thiocyanate is C8H5Cl2NS.
What is the molecular weight of 2,4-Dichlorobenzyl thiocyanate?
The molecular weight of 2,4-Dichlorobenzyl thiocyanate is 216.95 g/mol.
Where can I buy 2,4-Dichlorobenzyl thiocyanate?
You can request a quote for 2,4-Dichlorobenzyl thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dichlorobenzyl thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dichlorobenzyl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.