4-Bromobenzyl thiocyanate
TL;DR: 4-Bromobenzyl thiocyanate (CAS 2740-89-8) is a chemical compound with molecular formula C8H6BrNS and molecular weight 226.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromophenyl)methyl thiocyanate
Also Known As: 4-BROMOBENZYL THIOCYANATE, (4-bromophenyl)methyl thiocyanate, 1-bromo-4-(thiocyanatomethyl)benzene, p-bromobenzyloxycarbonyl chloride, Thiocyanic acid 4-bromobenzyl ester
| Molecular Formula | C8H6BrNS |
|---|---|
| Molecular Weight | 226.94 g/mol |
| LogP | 3.16338 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.94043 |
| Heavy Atoms | 11 |
| Complexity | 262.4157 |
Chemical Identifiers
| CAS Number | 2740-89-8 |
|---|---|
| SMILES | C1=CC(=CC=C1CSC#N)Br |
Product Overview
4-Bromobenzyl thiocyanate (CAS 2740-89-8), with molecular formula C8H6BrNS and molecular weight 226.94 g/mol. IUPAC: (4-bromophenyl)methyl thiocyanate.
Chemical Property Profile of 4-Bromobenzyl thiocyanate
Property Insights of 4-Bromobenzyl thiocyanate
The XLogP value of 3.16338 indicates that 4-Bromobenzyl thiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.79 Ų, 4-Bromobenzyl thiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromobenzyl 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 4-Bromobenzyl thiocyanate?
The CAS number of 4-Bromobenzyl thiocyanate is 2740-89-8.
What is the molecular formula of 4-Bromobenzyl thiocyanate?
The molecular formula of 4-Bromobenzyl thiocyanate is C8H6BrNS.
What is the molecular weight of 4-Bromobenzyl thiocyanate?
The molecular weight of 4-Bromobenzyl thiocyanate is 226.94 g/mol.
Where can I buy 4-Bromobenzyl thiocyanate?
You can request a quote for 4-Bromobenzyl thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromobenzyl thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromobenzyl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.