2,6-Dichlorobenzyl thiocyanate
TL;DR: 2,6-Dichlorobenzyl thiocyanate (CAS 7534-64-7) 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.
(2,6-dichlorophenyl)methyl thiocyanate
Also Known As: 2,6-Dichlorobenzyl thiocyanate, (2,6-dichlorophenyl)methyl thiocyanate, 1,3-dichloro-2-(thiocyanatomethyl)benzene, 2,6-DICHLOROBENZYLTHIOCYANATE, Thiocyanic acid 2,6-dichlorobenzyl ester
| Molecular Formula | C8H5Cl2NS |
|---|---|
| Molecular Weight | 216.95 g/mol |
| LogP | 3.7 |
| 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 | 179.0 |
Chemical Identifiers
| CAS Number | 7534-64-7 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)CSC#N)Cl |
| InChIKey | IBWINXSTXHFYMY-UHFFFAOYSA-N |
Product Overview
2,6-Dichlorobenzyl thiocyanate (CAS 7534-64-7), with molecular formula C8H5Cl2NS and molecular weight 216.95 g/mol. IUPAC: (2,6-dichlorophenyl)methyl thiocyanate.
Chemical Property Profile of 2,6-Dichlorobenzyl thiocyanate
Property Insights of 2,6-Dichlorobenzyl thiocyanate
The XLogP value of 3.7 indicates that 2,6-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, 2,6-Dichlorobenzyl thiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-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 2,6-Dichlorobenzyl thiocyanate?
The CAS number of 2,6-Dichlorobenzyl thiocyanate is 7534-64-7.
What is the molecular formula of 2,6-Dichlorobenzyl thiocyanate?
The molecular formula of 2,6-Dichlorobenzyl thiocyanate is C8H5Cl2NS.
What is the molecular weight of 2,6-Dichlorobenzyl thiocyanate?
The molecular weight of 2,6-Dichlorobenzyl thiocyanate is 216.95 g/mol.
Where can I buy 2,6-Dichlorobenzyl thiocyanate?
You can request a quote for 2,6-Dichlorobenzyl thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Dichlorobenzyl thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dichlorobenzyl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.