3-(4-Chlorophenoxy)propyl thiocyanate
TL;DR: 3-(4-Chlorophenoxy)propyl thiocyanate (CAS 5364-66-9) is a chemical compound with molecular formula C10H10ClNOS and molecular weight 227.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenoxy)propyl thiocyanate
Also Known As: 3-(4-chlorophenoxy)propyl thiocyanate, AB00083114-01
| Molecular Formula | C10H10ClNOS |
|---|---|
| Molecular Weight | 227.02 g/mol |
| LogP | 3.32318 |
| Topological Polar Surface Area | 33.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 227.01717 |
| Heavy Atoms | 14 |
| Complexity | 306.8932 |
Chemical Identifiers
| CAS Number | 5364-66-9 |
|---|---|
| SMILES | C1=CC(=CC=C1OCCCSC#N)Cl |
Product Overview
3-(4-Chlorophenoxy)propyl thiocyanate (CAS 5364-66-9), with molecular formula C10H10ClNOS and molecular weight 227.02 g/mol. IUPAC: 3-(4-chlorophenoxy)propyl thiocyanate.
Chemical Property Profile of 3-(4-Chlorophenoxy)propyl thiocyanate
Property Insights of 3-(4-Chlorophenoxy)propyl thiocyanate
The XLogP value of 3.32318 indicates that 3-(4-Chlorophenoxy)propyl thiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.02 Ų, 3-(4-Chlorophenoxy)propyl thiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Chlorophenoxy)propyl thiocyanate has 0 hydrogen bond donor(s) and 3 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 3-(4-Chlorophenoxy)propyl thiocyanate?
The CAS number of 3-(4-Chlorophenoxy)propyl thiocyanate is 5364-66-9.
What is the molecular formula of 3-(4-Chlorophenoxy)propyl thiocyanate?
The molecular formula of 3-(4-Chlorophenoxy)propyl thiocyanate is C10H10ClNOS.
What is the molecular weight of 3-(4-Chlorophenoxy)propyl thiocyanate?
The molecular weight of 3-(4-Chlorophenoxy)propyl thiocyanate is 227.02 g/mol.
Where can I buy 3-(4-Chlorophenoxy)propyl thiocyanate?
You can request a quote for 3-(4-Chlorophenoxy)propyl thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Chlorophenoxy)propyl thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Chlorophenoxy)propyl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.