![[(2E)-3,7-dimethylocta-2,6-dienyl] thiocyanate structure](/static/products/220/22008-63-5.png)
[(2E)-3,7-dimethylocta-2,6-dienyl] thiocyanate
TL;DR: [(2E)-3,7-dimethylocta-2,6-dienyl] thiocyanate (CAS 22008-63-5) is a chemical compound with molecular formula C11H17NS and molecular weight 195.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2E)-3,7-dimethylocta-2,6-dienyl] thiocyanate
Also Known As: geranyl thiocyanate, [(2E)-3,7-dimethylocta-2,6-dienyl] thiocyanate, (2E)-3,7-Dimethylocta-2,6-dien-1-yl thiocyanate
| Molecular Formula | C11H17NS |
|---|---|
| Molecular Weight | 195.11 g/mol |
| LogP | 3.89338 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 195.10817 |
| Heavy Atoms | 13 |
| Complexity | 228.96506 |
Chemical Identifiers
| CAS Number | 22008-63-5 |
|---|---|
| SMILES | CC(=CCC/C(=C/CSC#N)/C)C |
Product Overview
[(2E)-3,7-dimethylocta-2,6-dienyl] thiocyanate (CAS 22008-63-5), with molecular formula C11H17NS and molecular weight 195.11 g/mol. IUPAC: [(2E)-3,7-dimethylocta-2,6-dienyl] thiocyanate.
Chemical Property Profile of [(2E)-3,7-dimethylocta-2,6-dienyl] thiocyanate
Property Insights of [(2E)-3,7-dimethylocta-2,6-dienyl] thiocyanate
The XLogP value of 3.89338 indicates that [(2E)-3,7-dimethylocta-2,6-dienyl] 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, [(2E)-3,7-dimethylocta-2,6-dienyl] thiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(2E)-3,7-dimethylocta-2,6-dienyl] 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 [(2E)-3,7-dimethylocta-2,6-dienyl] thiocyanate?
The CAS number of [(2E)-3,7-dimethylocta-2,6-dienyl] thiocyanate is 22008-63-5.
What is the molecular formula of [(2E)-3,7-dimethylocta-2,6-dienyl] thiocyanate?
The molecular formula of [(2E)-3,7-dimethylocta-2,6-dienyl] thiocyanate is C11H17NS.
What is the molecular weight of [(2E)-3,7-dimethylocta-2,6-dienyl] thiocyanate?
The molecular weight of [(2E)-3,7-dimethylocta-2,6-dienyl] thiocyanate is 195.11 g/mol.
Where can I buy [(2E)-3,7-dimethylocta-2,6-dienyl] thiocyanate?
You can request a quote for [(2E)-3,7-dimethylocta-2,6-dienyl] thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(2E)-3,7-dimethylocta-2,6-dienyl] thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for [(2E)-3,7-dimethylocta-2,6-dienyl] thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.