3,7-Dimethylocta-2,6-dienyl thiocyanate
TL;DR: 3,7-Dimethylocta-2,6-dienyl thiocyanate (CAS 22005-45-4) 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.
3,7-dimethylocta-2,6-dienyl thiocyanate
Also Known As: [(2E)-3,7-dimethylocta-2,6-dienyl] thiocyanate
| Molecular Formula | C11H17NS |
|---|---|
| Molecular Weight | 195.11 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 195.10817 |
| Heavy Atoms | 13 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 22005-45-4 |
|---|---|
| SMILES | CC(=CCCC(=CCSC#N)C)C |
| InChIKey | WFCGOANCWUILIC-UHFFFAOYSA-N |
Product Overview
3,7-Dimethylocta-2,6-dienyl thiocyanate (CAS 22005-45-4), with molecular formula C11H17NS and molecular weight 195.11 g/mol. IUPAC: 3,7-dimethylocta-2,6-dienyl thiocyanate.
Chemical Property Profile of 3,7-Dimethylocta-2,6-dienyl thiocyanate
Property Insights of 3,7-Dimethylocta-2,6-dienyl thiocyanate
The XLogP value of 4.3 indicates that 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 49.1 Ų, 3,7-Dimethylocta-2,6-dienyl thiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 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 3,7-Dimethylocta-2,6-dienyl thiocyanate?
The CAS number of 3,7-Dimethylocta-2,6-dienyl thiocyanate is 22005-45-4.
What is the molecular formula of 3,7-Dimethylocta-2,6-dienyl thiocyanate?
The molecular formula of 3,7-Dimethylocta-2,6-dienyl thiocyanate is C11H17NS.
What is the molecular weight of 3,7-Dimethylocta-2,6-dienyl thiocyanate?
The molecular weight of 3,7-Dimethylocta-2,6-dienyl thiocyanate is 195.11 g/mol.
Where can I buy 3,7-Dimethylocta-2,6-dienyl thiocyanate?
You can request a quote for 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 3,7-Dimethylocta-2,6-dienyl thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Dimethylocta-2,6-dienyl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.