4-(2-Tert-butylphenoxy)butyl thiocyanate
TL;DR: 4-(2-Tert-butylphenoxy)butyl thiocyanate (CAS 5362-15-2) is a chemical compound with molecular formula C15H21NOS and molecular weight 263.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-tert-butylphenoxy)butyl thiocyanate
Also Known As: 4-(2-tert-butylphenoxy)butyl thiocyanate, Cambridge id 5362152
| Molecular Formula | C15H21NOS |
|---|---|
| Molecular Weight | 263.13 g/mol |
| LogP | 4.35738 |
| Topological Polar Surface Area | 33.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 263.1344 |
| Heavy Atoms | 18 |
| Complexity | 403.69 |
Chemical Identifiers
| CAS Number | 5362-15-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC=CC=C1OCCCCSC#N |
Product Overview
4-(2-Tert-butylphenoxy)butyl thiocyanate (CAS 5362-15-2), with molecular formula C15H21NOS and molecular weight 263.13 g/mol. IUPAC: 4-(2-tert-butylphenoxy)butyl thiocyanate.
Chemical Property Profile of 4-(2-Tert-butylphenoxy)butyl thiocyanate
Property Insights of 4-(2-Tert-butylphenoxy)butyl thiocyanate
The XLogP value of 4.35738 indicates that 4-(2-Tert-butylphenoxy)butyl 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, 4-(2-Tert-butylphenoxy)butyl thiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-Tert-butylphenoxy)butyl 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 4-(2-Tert-butylphenoxy)butyl thiocyanate?
The CAS number of 4-(2-Tert-butylphenoxy)butyl thiocyanate is 5362-15-2.
What is the molecular formula of 4-(2-Tert-butylphenoxy)butyl thiocyanate?
The molecular formula of 4-(2-Tert-butylphenoxy)butyl thiocyanate is C15H21NOS.
What is the molecular weight of 4-(2-Tert-butylphenoxy)butyl thiocyanate?
The molecular weight of 4-(2-Tert-butylphenoxy)butyl thiocyanate is 263.13 g/mol.
Where can I buy 4-(2-Tert-butylphenoxy)butyl thiocyanate?
You can request a quote for 4-(2-Tert-butylphenoxy)butyl thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Tert-butylphenoxy)butyl thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Tert-butylphenoxy)butyl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.